SCHEMBL687769

SCHEMBL687769

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 17/20 0.62
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL688122 0.91 PTGER3 (0.67) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687891 0.90 PTGER3 (0.69) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686675 0.90 PTGER3 (0.64) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL13120874 0.90 PTGER3 (0.59) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27587408 0.89 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688100 0.89 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL14302459 0.89 PTGER3 (0.61) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688063 0.88 PTGER3 (0.55) PTGER3KDM4EALDH1A1MAPK1MEN1
SCHEMBL687721 0.88 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686839 0.87 PTGER3 (0.64) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2

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