SCHEMBL688366

SCHEMBL688366

CCc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 13/20 0.46
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB1 P05556 3/20 0.39
ITGA4 P13612 3/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL687418 0.92 PTGER3 (0.46) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL27587444 0.91 KDM4E (0.42) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688155 0.91 PTGER3 (0.49) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688040 0.91 PTGER3 (0.49) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688004 0.91 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688385 0.91 PTGER3 (0.51) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687771 0.91 PTGER3 (0.45) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687238 0.90 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688158 0.89 RXFP1 (0.45) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687448 0.89 CYP26A1 (0.45) PTGER3CYP1A2KDM4EALDH1A1MAPK1

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