SCHEMBL688265

SCHEMBL688265

COc1ccc2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)c4c(n(Cc5ccccc5Cl)c3=O)CCC4)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSA P10619 3/20 0.37
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GCGR P47871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 2/20 0.34
NLRP3 Q96P20 1/20 0.34
PLA2G2A P14555 1/20 0.34

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
SCHEMBL688336 0.93 HPGD (0.38) PTGER3MEN1KMT2AMAPTRXFP1
SCHEMBL688270 0.88 MEN1 (0.41) PTGER3MEN1KMT2AMAPTRXFP1
SCHEMBL688345 0.88 MEN1 (0.41) PTGER3MEN1KMT2AMAPTRXFP1
SCHEMBL688307 0.88 MEN1 (0.38) PTGER3MEN1KMT2ACTSAMAPT
SCHEMBL688349 0.87 MEN1 (0.41) PTGER3MEN1KMT2AMAPTRXFP1
SCHEMBL688741 0.87 SMN1; SMN2 (0.38) PTGER3MEN1KMT2ACTSAMAPT
SCHEMBL688444 0.87 MEN1 (0.43) PTGER3MEN1KMT2ACTSAMAPT
SCHEMBL687676 0.87 KMT2A (0.43) PTGER3MEN1KMT2AMAPTRXFP1
SCHEMBL688166 0.87 MEN1 (0.37) PTGER3MEN1KMT2AMAPTALDH1A1
SCHEMBL688454 0.87 MEN1 (0.41) PTGER3MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed