SCHEMBL3266797

SCHEMBL3266797

CCCCC#Cc1c(OC)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
PPARA Q07869 2/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
PPARG P37231 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL5671785 0.88 MAPT (0.41) HTTPPARAKDM4EHPGDHSD17B10
SCHEMBL5669455 0.87 KDM4E (0.44) KDM4EKMT2AMEN1RECQLCA12
SCHEMBL2421654 0.86 HTT (0.45) HTTKDM4EKMT2AMEN1RECQL
SCHEMBL5669374 0.84 KDM4E (0.42) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL3249278 0.78 APEX1 (0.46) HTTPPARAKDM4EKMT2AMEN1
SCHEMBL5667072 0.78 CXCR2 (0.39) KDM4EKMT2AMEN1RECQLCA12
SCHEMBL5667800 0.78 KDM4E (0.38) HTTKDM4EKMT2AMEN1RECQL
SCHEMBL5666941 0.74 KDM4E (0.50) KDM4EKMT2AMEN1RECQLCA12
SCHEMBL2424260 0.74 MAPT (0.43) HTTKDM4EKMT2AMEN1HPGD
SCHEMBL19331451 0.74 KDM4E (0.56) HTTKDM4EKMT2AMEN1RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
EP-1315709-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-06-04 EP disclosed
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed