SCHEMBL7697653

SCHEMBL7697653

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.41
ITGAV P06756 5/20 0.41
GAA P10253 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
ITGA2B P08514 8/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP8 Q14790 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
ITGB8 P26012 1/20 0.37
CTSA P10619 2/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL4436751 1.00 ITGB3 (0.41) ITGB3ITGAVGAAFPR1FPR2
SCHEMBL4431178 1.00 ITGB3 (0.41) ITGB3ITGAVGAAFPR1FPR2
SCHEMBL4430042 0.95 GAA (0.40) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4430045 0.95 GAA (0.40) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4424320 0.94 GAA (0.40) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL14646928 0.93 GAA (0.39) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL14646935 0.93 GAA (0.39) ITGB3ITGAVGAAFPR1ITGA2B
SCHEMBL4426733 0.93 GAA (0.39) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4426734 0.93 GAA (0.39) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4427920 0.93 GAA (0.39) ITGB3ITGAVGAAFPR1ITGA2B

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-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
WO-2000068188-A9 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2002-08-29 WO disclosed