SCHEMBL688134

SCHEMBL688134

COc1cc(OC)cc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3cccs3)c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 13/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 5/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL687240 0.94 PTGER3 (0.51) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL687936 0.92 KDM4E (0.47) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL687884 0.90 PTGER3 (0.42) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL687831 0.87 ALDH1A1 (0.45) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL687917 0.86 KDM4E (0.47) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL688383 0.85 ALDH1A1 (0.46) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL687576 0.83 ALDH1A1 (0.48) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL686746 0.83 CYP26A1 (0.40) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL688850 0.82 PTGER3 (0.41) PTGER3KDM4EMEN1KMT2AALDH1A1
SCHEMBL688594 0.81 PTGER3 (0.47) 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