SCHEMBL7482114

SCHEMBL7482114

COc1ccc2c(c1)CN(Cc1cccc(Cl)c1)C(C(=O)O)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
PLA2G2A P14555 1/20 0.43
CCR2 P41597 1/20 0.42
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL7482104 1.00 HDAC8 (0.54) HDAC8MEN1KMT2AMAPTTP53
SCHEMBL7483733 0.86 CYP19A1 (0.44) HDAC8OPRM1OPRD1OPRK1S1PR1
SCHEMBL7483726 0.86 CYP19A1 (0.44) HDAC8OPRM1OPRD1OPRK1S1PR1
SCHEMBL7537137 0.84 POLB (0.48) MEN1KMT2ACCR2MMP8MMP3
SCHEMBL7537140 0.84 POLB (0.48) MEN1KMT2ACCR2MMP8MMP3
SCHEMBL7539116 0.84 POLB (0.48) MEN1KMT2ACCR2MMP8MMP3
SCHEMBL7533950 0.84 KDM4E (0.50) HDAC8MEN1KMT2AMAPTALDH1A1
SCHEMBL7533954 0.84 KDM4E (0.50) HDAC8MEN1KMT2AMAPTALDH1A1
SCHEMBL6920302 0.80 HDAC8 (0.53) HDAC8MEN1KMT2AMAPTOPRM1
SCHEMBL27496734 0.77 CYP19A1 (0.51) HDAC8OPRM1OPRD1OPRK1MMP8

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 7 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 claimed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
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