SCHEMBL3249278

SCHEMBL3249278

CCCCC#Cc1cccc(C(=O)O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 5/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 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
SCHEMBL6139643 0.88 CYP2C19 (0.45) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5666941 0.83 KDM4E (0.50) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL19331451 0.83 KDM4E (0.56) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5006713 0.82 KDM4E (0.49) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL4790549 0.79 CYSLTR2 (0.53) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5669496 0.78 CYP3A4 (0.46) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL3266797 0.78 HTT (0.47) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5669455 0.78 KDM4E (0.44) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL5823360 0.78 CYSLTR2 (0.47) APEX1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL20503373 0.78 CYSLTR2 (0.47) APEX1CYP3A4CYP2C9CYP2C19KDM4E

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