SCHEMBL688306

SCHEMBL688306

O=C(O)C[C@H](NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MMP12 P39900 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
PTGER3 P43115 8/20 0.39
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
FPR2 P25090 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL687121 0.92 MAPT (0.46) MAPTITGB3ITGAVMMP12PTGER3
SCHEMBL687339 0.89 PTGER3 (0.39) MAPTITGB1ITGA4PTGER3KDM4E
SCHEMBL687043 0.89 CTSA (0.45) MAPTPTGER3KDM4EALDH1A1MAPK1
SCHEMBL687524 0.89 PTGER3 (0.45) MAPTITGB3ITGAVPTGER3KDM4E
SCHEMBL687418 0.89 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687238 0.88 PTGER3 (0.46) MAPTPTGER3KDM4EALDH1A1MAPK1
SCHEMBL688004 0.88 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688158 0.88 RXFP1 (0.45) MAPTITGB1ITGA4PTGER3KDM4E
SCHEMBL688366 0.87 PTGER3 (0.46) ITGB1ITGA4PTGER3KDM4EALDH1A1
SCHEMBL687533 0.87 MAPT (0.46) MAPTITGB3ITGAVPPARGPPARA

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