SCHEMBL688014

SCHEMBL688014

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O)c1ccc2c(c1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 16/20 0.56
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.49
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL687785 0.88 PTGER3 (0.61) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687867 0.87 PTGER3 (0.52) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688122 0.87 PTGER3 (0.67) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686675 0.86 PTGER3 (0.64) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688360 0.85 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688027 0.85 PTGER3 (0.67) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688100 0.85 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL27587408 0.85 PTGER3 (0.62) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687428 0.85 PTGER3 (0.56) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687886 0.85 PTGER3 (0.56) 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 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