SCHEMBL688234

SCHEMBL688234

Cn1ccc2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)ccn(Cc4ccccc4Cl)c3=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL687411 0.89 PTGER3 (0.42) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687687 0.89 PTGER3 (0.38) PTGER3
SCHEMBL687672 0.87 CYP26A1 (0.43) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687771 0.86 PTGER3 (0.45) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687155 0.86 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687540 0.86 PTGER3 (0.48) PTGER3KDM4EALDH1A1
SCHEMBL688406 0.86 PTGER3 (0.48) PTGER3KDM4EALDH1A1
SCHEMBL687418 0.86 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688040 0.85 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688155 0.85 PTGER3 (0.49) 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