SCHEMBL688260

SCHEMBL688260

O=C(O)CC(NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.41
PTGER3 P43115 9/20 0.41
ITGB3 P05106 7/20 0.40
ITGAV P06756 4/20 0.40
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
ITGA2B P08514 3/20 0.39
KCNA5 P22460 1/20 0.38

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 0.91 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688004 0.87 PTGER3 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687152 0.86 PTGER3 (0.48) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687238 0.85 PTGER3 (0.46) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687672 0.85 CYP26A1 (0.43) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688040 0.85 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688155 0.85 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687732 0.85 PTGER3 (0.49) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL686873 0.85 PTGER3 (0.49) PTGER3ITGB3ITGAVKDM4EALDH1A1
SCHEMBL687647 0.84 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