SCHEMBL687152

SCHEMBL687152

O=C(O)CC(NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 16/20 0.48
CTSA P10619 2/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL687418 0.93 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686873 0.91 PTGER3 (0.49) PTGER3CTSAKDM4EALDH1A1MAPK1
SCHEMBL687732 0.91 PTGER3 (0.49) PTGER3CTSAKDM4EALDH1A1MAPK1
SCHEMBL687672 0.90 CYP26A1 (0.43) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688004 0.90 PTGER3 (0.44) PTGER3CTSAKDM4EALDH1A1MAPK1
SCHEMBL27762474 0.90 PTGER3 (0.42) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688385 0.90 PTGER3 (0.51) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687117 0.90 PTGER3 (0.52) PTGER3KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL687597 0.89 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688178 0.89 PTGER3 (0.42) 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