SCHEMBL4428450

SCHEMBL4428450

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1cccc(NCc2cccs2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 5/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
GAA P10253 1/20 0.38
ITGB3 P05106 8/20 0.37
ITGA2B P08514 5/20 0.37
ITGAV P06756 4/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL4428453 0.84 CASP1 (0.38) CASP1GAAITGB3ITGA2BITGAV
SCHEMBL4434014 0.81 ITGB3 (0.42) CASP1GAAITGB3ITGA2BITGAV
SCHEMBL4436976 0.81 ITGB3 (0.42) CASP1GAAITGB3ITGA2BITGAV
SCHEMBL4436920 0.81 GAA (0.42) HPGDCASP1GAAITGB3ITGA2B
SCHEMBL4428468 0.79 POLB (0.43) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4427904 0.78 POLB (0.42) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4426829 0.78 POLB (0.42) POLBHPGDGAAITGB3ITGA2B
SCHEMBL4552119 0.77 GAA (0.43) GAAITGB3ITGA2BITGAVTP53
SCHEMBL4431163 0.77 ITGB3 (0.43) HPGDCASP1GAAITGB3ITGA2B
SCHEMBL7955769 0.77 HPGD (0.47) POLBHPGDGAAITGB3ITGA2B

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