SCHEMBL687937

SCHEMBL687937

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(CC3=CC=CCC3=S)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 5/20 0.45
RECQL P46063 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.41
LCK P06239 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL688135 0.93 PTGER3 (0.45) PTGER3KDM4EMAPTRECQLMAPK1
SCHEMBL687241 0.92 PTGER3 (0.50) PTGER3KDM4EMAPTRECQLMAPK1
SCHEMBL687832 0.92 PTGER3 (0.41) PTGER3KDM4EMAPTRECQLMEN1
SCHEMBL688384 0.91 KDM4E (0.42) PTGER3KDM4EMAPTMEN1KMT2A
SCHEMBL687918 0.91 KDM4E (0.44) PTGER3KDM4EMAPTMAPK1MEN1
SCHEMBL686747 0.89 MEN1 (0.39) PTGER3KDM4EMAPTRECQLMEN1
SCHEMBL687885 0.88 PTGER3 (0.40) PTGER3KDM4EMAPTRECQLMAPK1
SCHEMBL688851 0.88 PTGER3 (0.43) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL687577 0.85 PTGER3 (0.44) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL686924 0.83 PTGER3 (0.39) PTGER3KDM4EMEN1KMT2AALDH1A1

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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 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