SCHEMBL7704734

SCHEMBL7704734

N#CCc1ccccc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.50
PTGER3 P43115 4/20 0.50
NAAA Q02083 1/20 0.48
PTGER1 P34995 3/20 0.48
PTGER2 P43116 3/20 0.48
MAOB P27338 5/20 0.48
NR4A2 P43354 2/20 0.48
GRM5 P41594 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
GSTP1 P09211 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BCHE P06276 1/20 0.46
GUSB P08236 1/20 0.45

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
SCHEMBL7710805 0.83 PTGER4 (0.55) PTGER4PTGER3PTGER1PTGER2MAOB
SCHEMBL7711180 0.83 PTGER4 (0.52) PTGER4PTGER3PTGER1PTGER2MAOB
SCHEMBL1636426 0.81 BCHE (0.58) MAOBNR4A2GRM5CYP4F2CYP4A11
SCHEMBL952649 0.80 HTR7 (0.49) NAAACYP4F2CYP4A11
SCHEMBL2085480 0.80 BACE1 (0.45) PTGER4PTGER3PTGER1PTGER2GRM5
SCHEMBL379281 0.78 MAOB (0.67) MAOBNR4A2MRGPRX4GSTP1CYP4F2
SCHEMBL28451933 0.77 PTGER4 (0.60) PTGER4PTGER3PTGER1PTGER2MAOB
SCHEMBL17188139 0.77 ALOX5 (0.56) MAOBNR4A2MRGPRX4
SCHEMBL2137838 0.77 MRGPRX4 (0.69) NAAAMAOBNR4A2MRGPRX4GSTP1
SCHEMBL9032723 0.77 MAOB (0.61) MAOBNR4A2GRM5MRGPRX4GSTP1

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
US-6358985-B1 ANTICANCER AGENT MERCK & CO., INC. 2002-03-19 US disclosed
EP-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed