"Compound ID" "Compound name" "Original SMILES" "Prepared SMILES" "Target ID" "Protein name" "Protein family" "Gene symbol" "Gene ID" Organism Score Rank 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 3.32456 1 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC O00481 "Butyrophilin subfamily 3 member A1 (CD antigen CD277)" "Immunoglobulin superfamily, BTN/MOG family" BTN3A1 11119; "Homo sapiens (Human)" 3.26761 2 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 2.78149 3 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P04150 "Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member 1)" "Nuclear hormone receptor family, NR3 subfamily" NR3C1 2908; "Homo sapiens (Human)" 2.77385 4 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 2.72458 5 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P49286 "Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)" "G-protein coupled receptor 1 family" MTNR1B 4544; "Homo sapiens (Human)" 2.61391 6 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P41145 "Kappa-type opioid receptor (K-OR-1) (KOR-1)" "G-protein coupled receptor 1 family" OPRK1 4986; "Homo sapiens (Human)" 2.59349 7 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P48039 "Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)" "G-protein coupled receptor 1 family" MTNR1A 4543; "Homo sapiens (Human)" 2.38324 8 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q92731 "Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A member 2)" "Nuclear hormone receptor family, NR3 subfamily" ESR2 2100; "Homo sapiens (Human)" 2.37962 9 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P07550 "Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)" "G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamily" ADRB2 154; "Homo sapiens (Human)" 2.36532 10 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P30542 "Adenosine receptor A1" "G-protein coupled receptor 1 family" ADORA1 134; "Homo sapiens (Human)" 2.3177 11 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 2.28976 12 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P08588 "Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)" "G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamily" ADRB1 153; "Homo sapiens (Human)" 2.27133 13 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P14416 "D(2) dopamine receptor (Dopamine D2 receptor)" "G-protein coupled receptor 1 family" DRD2 1813; "Homo sapiens (Human)" 2.24838 14 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P37268 "Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)" "Phytoene/squalene synthase family" FDFT1 2222; "Homo sapiens (Human)" 2.24274 15 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 2.19719 16 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P03372 "Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 group A member 1)" "Nuclear hormone receptor family, NR3 subfamily" ESR1 2099; "Homo sapiens (Human)" 2.12733 17 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P49768 "Presenilin-1 (PS-1) (EC 3.4.23.-) (Protein S182) [Cleaved into: Presenilin-1 NTF subunit; Presenilin-1 CTF subunit; Presenilin-1 CTF12 (PS1-CTF12)]" "Peptidase A22A family" PSEN1 5663; "Homo sapiens (Human)" 2.06278 18 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P11597 "Cholesteryl ester transfer protein (Lipid transfer protein I)" "BPI/LBP/Plunc superfamily, BPI/LBP family" CETP 1071; "Homo sapiens (Human)" 2.01124 19 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P04035 "3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)" "HMG-CoA reductase family" HMGCR 3156; "Homo sapiens (Human)" 1.98259 20 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q9H244 "P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) (P2Y12 platelet ADP receptor) (P2Y(ADP)) (SP1999)" "G-protein coupled receptor 1 family" P2RY12 64805; "Homo sapiens (Human)" 1.97045 21 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.95113 22 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.88535 23 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q15077 "P2Y purinoceptor 6 (P2Y6)" "G-protein coupled receptor 1 family" P2RY6 5031; "Homo sapiens (Human)" 1.84806 24 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P19099 "Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC 1.14.15.5) (Aldosterone-synthesizing enzyme) (CYPXIB2) (Cytochrome P-450Aldo) (Cytochrome P-450C18) (Steroid 18-hydroxylase)" "Cytochrome P450 family" CYP11B2 1585; "Homo sapiens (Human)" 1.7575 25 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.75057 26 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.70563 27 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P35462 "D(3) dopamine receptor (Dopamine D3 receptor)" "G-protein coupled receptor 1 family" DRD3 1814; "Homo sapiens (Human)" 1.65761 28 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC O95822 "Malonyl-CoA decarboxylase, mitochondrial (MCD) (EC 4.1.1.9)" MLYCD 23417; "Homo sapiens (Human)" 1.58558 29 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P51449 "Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 group F member 3) (RAR-related orphan receptor C) (Retinoid-related orphan receptor-gamma)" "Nuclear hormone receptor family, NR1 subfamily" RORC 6097; "Homo sapiens (Human)" 1.58329 30 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q99720 "Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding protein) (SR-BP) (Sigma 1-type opioid receptor) (SIG-1R) (Sigma1-receptor) (Sigma1R) (hSigmaR1)" "ERG2 family" SIGMAR1 10280; "Homo sapiens (Human)" 1.57857 31 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC O75762 "Transient receptor potential cation channel subfamily A member 1 (Ankyrin-like with transmembrane domains protein 1) (Transformation-sensitive protein p120)" "Transient receptor (TC 1.A.4) family" TRPA1 8989; "Homo sapiens (Human)" 1.55875 32 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.55203 33 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q13304 "Uracil nucleotide/cysteinyl leukotriene receptor (UDP/CysLT receptor) (G-protein coupled receptor 17) (P2Y-like receptor) (R12)" "G-protein coupled receptor 1 family" GPR17 2840; "Homo sapiens (Human)" 1.52387 34 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.5135 35 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P45452 "Collagenase 3 (EC 3.4.24.-) (Matrix metalloproteinase-13) (MMP-13)" "Peptidase M10A family" MMP13 4322; "Homo sapiens (Human)" 1.50767 36 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P21917 "D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)" "G-protein coupled receptor 1 family" DRD4 1815; "Homo sapiens (Human)" 1.47762 37 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P48449 "Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)" "Terpene cyclase/mutase family" LSS 4047; "Homo sapiens (Human)" 1.4711 38 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC O75388 "Probable G-protein coupled receptor 32" "G-protein coupled receptor 1 family" GPR32 2854; "Homo sapiens (Human)" 1.47075 39 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P47900 "P2Y purinoceptor 1 (P2Y1) (ADP receptor) (Purinergic receptor)" "G-protein coupled receptor 1 family" P2RY1 5028; "Homo sapiens (Human)" 1.46756 40 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P25103 "Substance-P receptor (SPR) (NK-1 receptor) (NK-1R) (Tachykinin receptor 1)" "G-protein coupled receptor 1 family" TACR1 6869; "Homo sapiens (Human)" 1.42326 41 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P31639 "Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) (Solute carrier family 5 member 2)" "Sodium:solute symporter (SSF) (TC 2.A.21) family" SLC5A2 6524; "Homo sapiens (Human)" 1.41505 42 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P27487 "Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein 2) (ADCP-2) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (CD antigen CD26) [Cleaved into: Dipeptidyl peptidase 4 membrane form (Dipeptidyl peptidase IV membrane form); Dipeptidyl peptidase 4 soluble form (Dipeptidyl peptidase IV soluble form)]" "Peptidase S9B family, DPPIV subfamily" DPP4 1803; "Homo sapiens (Human)" 1.39318 43 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P35354 "Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) (Prostaglandin H2 synthase 2) (PGH synthase 2) (PGHS-2) (Prostaglandin-endoperoxide synthase 2)" "Prostaglandin G/H synthase family" PTGS2 5743; "Homo sapiens (Human)" 1.38321 44 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P0DMS8 "Adenosine receptor A3" "G-protein coupled receptor 1 family" ADORA3 140; "Homo sapiens (Human)" 1.37359 45 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC O43570 "Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase XII) (CA-XII) (Tumor antigen HOM-RCC-3.1.3)" "Alpha-carbonic anhydrase family" CA12 771; "Homo sapiens (Human)" 1.36502 46 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q15722 "Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) (G-protein coupled receptor 16) (P2Y purinoceptor 7) (P2Y7)" "G-protein coupled receptor 1 family" LTB4R 1241; "Homo sapiens (Human)" 1.33714 47 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC Q14416 "Metabotropic glutamate receptor 2 (mGluR2)" "G-protein coupled receptor 3 family" GRM2 2912; "Homo sapiens (Human)" 1.33549 48 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)OC P25090 "N-formyl peptide receptor 2 (FMLP-related receptor I) (FMLP-R-I) (Formyl peptide receptor-like 1) (HM63) (Lipoxin A4 receptor) (LXA4 receptor) (RFP)" "G-protein coupled receptor 1 family" FPR2 2358; "Homo sapiens (Human)" 1.31679 49 1 Untitled COP(=O)(C(C(Cl)(Cl)Cl)O)OC COP(=O)(C(C(Cl)(Cl)Cl)O)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)" 1.30496 50