SCHEMBL688031

SCHEMBL688031

Cc1cc([C@H](CC(=O)O)NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 16/20 0.60
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48

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
SCHEMBL688360 0.93 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687721 0.89 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687785 0.89 PTGER3 (0.61) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687891 0.89 PTGER3 (0.69) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687374 0.88 PTGER3 (0.68) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687261 0.88 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27587408 0.88 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688100 0.88 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688122 0.87 PTGER3 (0.67) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686675 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 2 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-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed