SCHEMBL687771

SCHEMBL687771

CCc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 17/20 0.45
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL688366 0.91 PTGER3 (0.46) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687672 0.91 CYP26A1 (0.43) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688385 0.90 PTGER3 (0.51) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687732 0.90 PTGER3 (0.49) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687155 0.90 PTGER3 (0.44) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687418 0.89 PTGER3 (0.46) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL687411 0.89 PTGER3 (0.42) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688155 0.89 PTGER3 (0.49) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688040 0.89 PTGER3 (0.49) PTGER3CYP1A2KDM4EALDH1A1MAPK1
SCHEMBL688004 0.89 PTGER3 (0.44) 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