SCHEMBL4301252

SCHEMBL4301252

COc1cc(C(C)=O)c(/C(=C/c2ccc(NC(=O)Nc3ccccc3)cc2)C(N)=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RCE1 Q9Y256 1/20 0.53
HDAC1 Q13547 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
STAT1 P42224 1/20 0.48
RET P07949 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HIF1A Q16665 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4301257 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL4301256 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1732688 0.76 MAPT (0.68) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1732689 0.76 MAPT (0.68) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL8350552 0.74 KMT2A (0.72) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1733385 0.73 KDM4E (0.67) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1733384 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL3462643 0.71 MEN1 (0.67) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1733939 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1732832 0.70 KDM4E (0.62) ALDH1A1KDM4EHPGDNPSR1HSD17B10

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-1732486-A4 DRUG-ENHANCED ADHESION PREVENTION ETHICON INC (US) 2009-04-08 EP claimed
JP-2007528391-A 2007-10-11 JP claimed
EP-1732486-A1 DRUG-ENHANCED ADHESION PREVENTION ETHICON, INC. (US) 2006-12-20 EP claimed
WO-2005092264-A1 DRUG-ENHANCED ADHESION PREVENTION ETHICON, INC. (US) 2005-10-06 WO claimed