SCHEMBL7535126

SCHEMBL7535126

CCCCN1Cc2cc(OC)ccc2C[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.49
OPRM1 P35372 4/20 0.48
OPRD1 P41143 4/20 0.48
OPRK1 P41145 2/20 0.48
MMP8 P22894 5/20 0.43
MMP3 P08254 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7535131 1.00 HDAC8 (0.49) HDAC8OPRM1OPRD1OPRK1MMP8
SCHEMBL7536950 0.81 ACE (0.49) MMP8MMP3ALDH1A1
SCHEMBL7536956 0.81 ACE (0.49) MMP8MMP3ALDH1A1
SCHEMBL7482104 0.76 HDAC8 (0.54) HDAC8OPRM1OPRD1OPRK1MMP8
SCHEMBL7482114 0.76 HDAC8 (0.54) HDAC8OPRM1OPRD1OPRK1MMP8
SCHEMBL7980112 0.73 OPRM1 (0.55) HDAC8OPRM1OPRD1OPRK1MMP8
SCHEMBL7980051 0.73 OPRM1 (0.55) HDAC8OPRM1OPRD1OPRK1MMP8
SCHEMBL19329065 0.73 PTPN1 (0.50) HDAC8OPRM1OPRD1OPRK1MMP8
SCHEMBL12191655 0.72 ACE (0.51) MMP8MMP3ALDH1A1KDM4E
SCHEMBL7473706 0.72 HDAC8 (0.58) HDAC8OPRM1OPRD1OPRK1

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