SCHEMBL7475157

SCHEMBL7475157

CC(N1Cc2ccccc2CC1CO)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BCL2 P10415 2/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7309721 0.82 CXCR4 (0.40) ACEOPRM1OPRD1OPRK1BCL2
SCHEMBL14558528 0.82 CXCR4 (0.40) ACEOPRM1OPRD1OPRK1BCL2
SCHEMBL6651633 0.74 OPRM1 (0.48) ACEOPRM1ALDH1A1CYP1A2CYP2C19
SCHEMBL6651630 0.74 OPRM1 (0.48) ACEOPRM1ALDH1A1CYP1A2CYP2C19
SCHEMBL7475153 0.72 OPRM1 (0.36) OPRM1OPRD1OPRK1NPSR1ALDH1A1
SCHEMBL8339942 0.72 OPRM1 (0.36) OPRM1OPRD1OPRK1NPSR1ALDH1A1
SCHEMBL20738536 0.69 OPRM1 (0.54) ACEOPRM1OPRD1OPRK1BCL2
SCHEMBL14067129 0.69 OPRM1 (0.54) ACEOPRM1OPRD1OPRK1BCL2
SCHEMBL15675696 0.69 OPRM1 (0.54) ACEOPRM1OPRD1OPRK1BCL2
SCHEMBL6369819 0.68 BCL2 (0.38) OPRM1OPRD1OPRK1BCL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5932590-A PEPTIDOMIMETIC IMIDAZOLYL-CONTAINING 1,2,3,4-TETRAHYDRO-QUINOLINES OR AN ANALOGOUS 3-BENZAZEPINES; ANTICARCINOGENIC AND-PROLIFERATIVE AGENTS; POLYCYSTIC KIDNEY DISEASE; RESTENOSIS PREVENTION; HEPATITIS; RETINAL VASCULARZATION MERCK & CO., INC. (US) 1999-08-03 US disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed