SCHEMBL688548

SCHEMBL688548

COc1cccc(Cn2cccc(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
PTGER3 P43115 13/20 0.62
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 5/20 0.62
RAB9A P51151 1/20 0.62
MAPK1 P28482 2/20 0.57
CASP1 P29466 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RECQL P46063 1/20 0.54
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.47

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
SCHEMBL688231 0.89 KDM4E (0.53) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL687613 0.88 PTGER3 (0.55) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL686843 0.86 MAPT (0.47) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL688063 0.86 PTGER3 (0.55) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL688469 0.84 KDM4E (0.58) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL686748 0.84 KDM4E (0.48) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL687856 0.84 ALDH1A1 (0.58) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL688280 0.83 ALDH1A1 (0.54) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL687877 0.83 ALDH1A1 (0.59) MAPTMEN1KMT2APTGER3KDM4E
SCHEMBL687859 0.83 ALDH1A1 (0.59) MAPTMEN1KMT2APTGER3KDM4E

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