"Compound ID" "Compound name" "Original SMILES" "Prepared SMILES" "Target ID" "Protein name" "Protein family" "Gene symbol" "Gene ID" Organism Score Rank 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q9HBH1 "Peptide deformylase, mitochondrial (EC 3.5.1.88) (Polypeptide deformylase)" "Polypeptide deformylase family" PDF 64146; "Homo sapiens (Human)" 3.83889 1 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P28845 "Corticosteroid 11-beta-dehydrogenase isozyme 1 (EC 1.1.1.146) (11-beta-hydroxysteroid dehydrogenase 1) (11-DH) (11-beta-HSD1) (Short chain dehydrogenase/reductase family 26C member 1)" "Short-chain dehydrogenases/reductases (SDR) family" HSD11B1 3290; "Homo sapiens (Human)" 2.81234 2 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P48039 "Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)" "G-protein coupled receptor 1 family" MTNR1A 4543; "Homo sapiens (Human)" 2.57412 3 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P34913 "Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) (EC 3.3.2.10) (Epoxide hydratase) (Soluble epoxide hydrolase) (SEH); Lipid-phosphate phosphatase (EC 3.1.3.76)]" "AB hydrolase superfamily, Epoxide hydrolase family" EPHX2 2053; "Homo sapiens (Human)" 2.46988 4 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q9UNA0 "A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAM-TS 5) (ADAM-TS5) (ADAMTS-5) (EC 3.4.24.-) (A disintegrin and metalloproteinase with thrombospondin motifs 11) (ADAM-TS 11) (ADAMTS-11) (ADMP-2) (Aggrecanase-2)" ADAMTS5 11096; "Homo sapiens (Human)" 2.35033 5 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q15391 "P2Y purinoceptor 14 (P2Y14) (G-protein coupled receptor 105) (UDP-glucose receptor)" "G-protein coupled receptor 1 family" P2RY14 9934; "Homo sapiens (Human)" 2.28385 6 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P06276 "Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) (Pseudocholinesterase)" "Type-B carboxylesterase/lipase family" BCHE 590; "Homo sapiens (Human)" 2.13068 7 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P00915 "Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase B) (CAB) (Carbonic anhydrase I) (CA-I)" "Alpha-carbonic anhydrase family" CA1 759; "Homo sapiens (Human)" 2.12433 8 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC O75469 "Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear receptor PAR1) (Orphan nuclear receptor PXR) (Pregnane X receptor) (Steroid and xenobiotic receptor) (SXR)" "Nuclear hormone receptor family, NR1 subfamily" NR1I2 8856; "Homo sapiens (Human)" 2.07408 9 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P20701 "Integrin alpha-L (CD11 antigen-like family member A) (Leukocyte adhesion glycoprotein LFA-1 alpha chain) (LFA-1A) (Leukocyte function-associated molecule 1 alpha chain) (CD antigen CD11a)" "Integrin alpha chain family" ITGAL 3683; "Homo sapiens (Human)" 2.06784 10 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P00918 "Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase C) (CAC) (Carbonic anhydrase II) (CA-II)" "Alpha-carbonic anhydrase family" CA2 760; "Homo sapiens (Human)" 1.99888 11 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q03426 "Mevalonate kinase (MK) (EC 2.7.1.36)" "GHMP kinase family, Mevalonate kinase subfamily" MVK 4598; "Homo sapiens (Human)" 1.99715 12 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P35372 "Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid receptor) (MOP) (hMOP)" "G-protein coupled receptor 1 family" OPRM1 4988; "Homo sapiens (Human)" 1.97361 13 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P52732 "Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) (Kinesin-related motor protein Eg5) (Thyroid receptor-interacting protein 5) (TR-interacting protein 5) (TRIP-5)" "TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily" KIF11 3832; "Homo sapiens (Human)" 1.93703 14 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q06187 "Tyrosine-protein kinase BTK (EC 2.7.10.2) (Agammaglobulinemia tyrosine kinase) (ATK) (B-cell progenitor kinase) (BPK) (Bruton tyrosine kinase)" "Protein kinase superfamily, Tyr protein kinase family, TEC subfamily" BTK 695; "Homo sapiens (Human)" 1.90835 15 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P41145 "Kappa-type opioid receptor (K-OR-1) (KOR-1)" "G-protein coupled receptor 1 family" OPRK1 4986; "Homo sapiens (Human)" 1.87586 16 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P10275 "Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C member 4)" "Nuclear hormone receptor family, NR3 subfamily" AR 367; "Homo sapiens (Human)" 1.83819 17 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC O00519 "Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide hydrolase 1)" "Amidase family" FAAH 2166; "Homo sapiens (Human)" 1.81394 18 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P11511 "Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen synthase)" "Cytochrome P450 family" CYP19A1 1588; "Homo sapiens (Human)" 1.67864 19 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P49286 "Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)" "G-protein coupled receptor 1 family" MTNR1B 4544; "Homo sapiens (Human)" 1.6183 20 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q9UBY5 "Lysophosphatidic acid receptor 3 (LPA receptor 3) (LPA-3) (Lysophosphatidic acid receptor Edg-7)" "G-protein coupled receptor 1 family" LPAR3 23566; "Homo sapiens (Human)" 1.55985 21 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P22303 "Acetylcholinesterase (AChE) (EC 3.1.1.7)" "Type-B carboxylesterase/lipase family" ACHE 43; "Homo sapiens (Human)" 1.52961 22 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P25105 "Platelet-activating factor receptor (PAF-R) (PAFr)" "G-protein coupled receptor 1 family" PTAFR 5724; "Homo sapiens (Human)" 1.50649 23 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q96T53 "Ghrelin O-acyltransferase (EC 2.3.1.-) (Membrane-bound O-acyltransferase domain-containing protein 4) (O-acyltransferase domain-containing protein 4)" "Membrane-bound acyltransferase family" MBOAT4 619373; "Homo sapiens (Human)" 1.49004 24 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P30536 "Translocator protein (Mitochondrial benzodiazepine receptor) (PKBS) (Peripheral-type benzodiazepine receptor) (PBR)" "TspO/BZRP family" TSPO 706; "Homo sapiens (Human)" 1.44251 25 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q16790 "Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase IX) (CA-IX) (CAIX) (Membrane antigen MN) (P54/58N) (Renal cell carcinoma-associated antigen G250) (RCC-associated antigen G250) (pMW1)" "Alpha-carbonic anhydrase family" CA9 768; "Homo sapiens (Human)" 1.44091 26 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q8NER1 "Transient receptor potential cation channel subfamily V member 1 (TrpV1) (Capsaicin receptor) (Osm-9-like TRP channel 1) (OTRPC1) (Vanilloid receptor 1)" "Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily" TRPV1 7442; "Homo sapiens (Human)" 1.4289 27 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q13547 "Histone deacetylase 1 (HD1) (EC 3.5.1.98)" "Histone deacetylase family, HD type 1 subfamily" HDAC1 3065; "Homo sapiens (Human)" 1.33453 28 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P04278 "Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding protein) (ABP) (Testosterone-estradiol-binding globulin) (TeBG) (Testosterone-estrogen-binding globulin)" SHBG 6462; "Homo sapiens (Human)" 1.32521 29 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P04150 "Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member 1)" "Nuclear hormone receptor family, NR3 subfamily" NR3C1 2908; "Homo sapiens (Human)" 1.30786 30 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P25116 "Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)" "G-protein coupled receptor 1 family" F2R 2149; "Homo sapiens (Human)" 1.30747 31 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P07477 "Trypsin-1 (EC 3.4.21.4) (Beta-trypsin) (Cationic trypsinogen) (Serine protease 1) (Trypsin I) [Cleaved into: Alpha-trypsin chain 1; Alpha-trypsin chain 2]" "Peptidase S1 family" PRSS1 5644; "Homo sapiens (Human)" 1.299 32 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P23141 "Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) (Carboxylesterase 1) (CE-1) (hCE-1) (EC 3.1.1.1) (Cocaine carboxylesterase) (Egasyn) (HMSE) (Methylumbelliferyl-acetate deacetylase 1) (EC 3.1.1.56) (Monocyte/macrophage serine esterase) (Retinyl ester hydrolase) (REH) (Serine esterase 1) (Triacylglycerol hydrolase) (TGH)" "Type-B carboxylesterase/lipase family" CES1 1066; "Homo sapiens (Human)" 1.29894 33 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P14555 "Phospholipase A2, membrane associated (EC 3.1.1.4) (GIIC sPLA2) (Group IIA phospholipase A2) (Non-pancreatic secretory phospholipase A2) (NPS-PLA2) (Phosphatidylcholine 2-acylhydrolase 2A)" "Phospholipase A2 family" PLA2G2A 5320; "Homo sapiens (Human)" 1.29596 34 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P05362 "Intercellular adhesion molecule 1 (ICAM-1) (Major group rhinovirus receptor) (CD antigen CD54)" "Immunoglobulin superfamily, ICAM family" ICAM1 3383; "Homo sapiens (Human)" 1.29551 35 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P47211 "Galanin receptor type 1 (GAL1-R) (GALR-1)" "G-protein coupled receptor 1 family" GALR1 2587; "Homo sapiens (Human)" 1.27394 36 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P47775 "G-protein coupled receptor 12" "G-protein coupled receptor 1 family" GPR12 2835; "Homo sapiens (Human)" 1.27165 37 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q9Y271 "Cysteinyl leukotriene receptor 1 (CysLTR1) (Cysteinyl leukotriene D4 receptor) (LTD4 receptor) (G-protein coupled receptor HG55) (HMTMF81)" "G-protein coupled receptor 1 family" CYSLTR1 10800; "Homo sapiens (Human)" 1.26736 38 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P23975 "Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 member 2)" "Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily" SLC6A2 6530; "Homo sapiens (Human)" 1.22085 39 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q8TDS5 "Oxoeicosanoid receptor 1 (5-oxo-ETE G-protein coupled receptor) (G-protein coupled receptor 170) (G-protein coupled receptor R527) (G-protein coupled receptor TG1019)" "G-protein coupled receptor 1 family" OXER1 165140; "Homo sapiens (Human)" 1.17792 40 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P12821 "Angiotensin-converting enzyme (ACE) (EC 3.2.1.-) (EC 3.4.15.1) (Dipeptidyl carboxypeptidase I) (Kininase II) (CD antigen CD143) [Cleaved into: Angiotensin-converting enzyme, soluble form]" "Peptidase M2 family" ACE 1636; "Homo sapiens (Human)" 1.17242 41 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC O00748 "Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) (Methylumbelliferyl-acetate deacetylase 2) (EC 3.1.1.56)" "Type-B carboxylesterase/lipase family" CES2 8824; "Homo sapiens (Human)" 1.12991 42 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P00742 "Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved into: Factor X light chain; Factor X heavy chain; Activated factor Xa heavy chain]" "Peptidase S1 family" F10 2159; "Homo sapiens (Human)" 1.1252 43 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P41143 "Delta-type opioid receptor (D-OR-1) (DOR-1)" "G-protein coupled receptor 1 family" OPRD1 4985; "Homo sapiens (Human)" 1.08112 44 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P42680 "Tyrosine-protein kinase Tec (EC 2.7.10.2)" "Protein kinase superfamily, Tyr protein kinase family, TEC subfamily" TEC 7006; "Homo sapiens (Human)" 1.07439 45 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P80365 "Corticosteroid 11-beta-dehydrogenase isozyme 2 (EC 1.1.1.-) (11-beta-hydroxysteroid dehydrogenase type 2) (11-DH2) (11-beta-HSD2) (11-beta-hydroxysteroid dehydrogenase type II) (11-HSD type II) (11-beta-HSD type II) (NAD-dependent 11-beta-hydroxysteroid dehydrogenase) (11-beta-HSD) (Short chain dehydrogenase/reductase family 9C member 3)" "Short-chain dehydrogenases/reductases (SDR) family" HSD11B2 3291; "Homo sapiens (Human)" 1.07365 46 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC Q92769 "Histone deacetylase 2 (HD2) (EC 3.5.1.98)" "Histone deacetylase family, HD type 1 subfamily" HDAC2 3066; "Homo sapiens (Human)" 1.05221 47 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P41146 "Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)" "G-protein coupled receptor 1 family" OPRL1 4987; "Homo sapiens (Human)" 1.03731 48 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P35408 "Prostaglandin E2 receptor EP4 subtype (PGE receptor EP4 subtype) (PGE2 receptor EP4 subtype) (Prostanoid EP4 receptor)" "G-protein coupled receptor 1 family" PTGER4 5734; "Homo sapiens (Human)" 1.03708 49 1 Untitled "C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC" COP(=O)(O/C(=C/C(=O)N(C)C)/C)OC P40225 "Thrombopoietin (C-mpl ligand) (ML) (Megakaryocyte colony-stimulating factor) (Megakaryocyte growth and development factor) (MGDF) (Myeloproliferative leukemia virus oncogene ligand)" "EPO/TPO family" THPO 7066; "Homo sapiens (Human)" 1.029 50