SCHEMBL4426513

SCHEMBL4426513

CCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1cccc(Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGAV P06756 3/20 0.42
CASP1 P29466 9/20 0.42
CASP3 P42574 3/20 0.42
CASP7 P55210 3/20 0.42
CASP8 Q14790 3/20 0.42
GAA P10253 1/20 0.42
ITGA2B P08514 5/20 0.41
FPR1 P21462 1/20 0.39
FPR2 P25090 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
SCHEMBL4431163 0.93 ITGB3 (0.43) ITGB3ITGAVCASP1GAAITGA2B
SCHEMBL4434014 0.92 ITGB3 (0.42) ITGB3ITGAVCASP1GAAITGA2B
SCHEMBL4436976 0.92 ITGB3 (0.42) ITGB3ITGAVCASP1GAAITGA2B
SCHEMBL4427887 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BFPR1FPR2
SCHEMBL4436751 0.81 ITGB3 (0.41) ITGB3ITGAVCASP1CASP3CASP7
SCHEMBL7697653 0.81 ITGB3 (0.41) ITGB3ITGAVCASP1CASP3CASP7
SCHEMBL4431178 0.81 ITGB3 (0.41) ITGB3ITGAVCASP1CASP3CASP7
SCHEMBL4436920 0.80 GAA (0.42) ITGB3ITGAVCASP1GAAITGA2B
SCHEMBL8506863 0.78 CASP1 (0.41) CASP1CASP3CASP7CASP8
SCHEMBL4428449 0.78 ITGB3 (0.42) ITGB3ITGAVGAAITGA2BKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189881-B2 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
EP-1189881-B1 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2004-09-29 EP disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed