SCHEMBL4427933

SCHEMBL4427933

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(F)(F)F)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
ITGB5 P18084 2/20 0.42
ITGB6 P18564 2/20 0.42
FPR1 P21462 2/20 0.38
ITGB8 P26012 1/20 0.38
TRPC5 Q9UL62 2/20 0.38
CETP P11597 1/20 0.38
CASP1 P29466 2/20 0.37
WDR5 P61964 1/20 0.37
MMP12 P39900 1/20 0.36
GLS O94925 3/20 0.35
GPR139 Q6DWJ6 1/20 0.35
OPRK1 P41145 1/20 0.34
PDE2A O00408 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL4431717 0.93 MMP12 (0.40) ITGB3ITGAVITGB5ITGB6FPR1
SCHEMBL4436912 0.91 SMN1; SMN2 (0.40) FPR1CASP1
SCHEMBL4426307 0.91 CASP1 (0.39) FPR1CASP1
SCHEMBL4434290 0.91 FPR1 (0.39) FPR1CASP1FFAR1
SCHEMBL4436745 0.90 SMN1; SMN2 (0.41) FPR1CASP1
SCHEMBL4434286 0.90 CTSA (0.39) ITGB3ITGAVITGB5ITGB6FPR1
SCHEMBL7429087 0.90 MMP2 (0.38) FPR1CASP1
SCHEMBL4427187 0.90 MMP2 (0.38) FPR1CASP1
SCHEMBL4429149 0.89 CYP26A1 (0.39) ITGB3ITGAVITGB5ITGB6FPR1
SCHEMBL4424644 0.89 FPR1 (0.37) FPR1CASP1OPRK1

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-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 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