SCHEMBL688039

SCHEMBL688039

Cc1cc(C(CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)oc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.44
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
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.37
CTSA P10619 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
SCHEMBL688108 0.88 PTGER3 (0.43) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688028 0.87 PTGER3 (0.40) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687155 0.86 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687647 0.85 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688453 0.85 PTGER3 (0.43) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687957 0.85 PTGER3 (0.45) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687418 0.85 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688155 0.84 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688040 0.84 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL714562 0.84 PTGER3 (0.43) 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