SCHEMBL4434014

SCHEMBL4434014

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.42
ITGAV P06756 3/20 0.42
GAA P10253 1/20 0.41
CASP1 P29466 3/20 0.39
ITGA2B P08514 8/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
F2R P25116 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 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
SCHEMBL4436976 1.00 ITGB3 (0.42) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL4431163 0.95 ITGB3 (0.43) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL4426513 0.92 ITGB3 (0.42) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL4436751 0.89 ITGB3 (0.41) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL4431178 0.89 ITGB3 (0.41) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL7697653 0.89 ITGB3 (0.41) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL4436920 0.88 GAA (0.42) ITGB3ITGAVGAACASP1ITGA2B
SCHEMBL8506863 0.87 CASP1 (0.41) CASP1
SCHEMBL4428449 0.86 ITGB3 (0.42) ITGB3ITGAVGAAITGA2BTAS1R3
SCHEMBL4552119 0.86 GAA (0.43) ITGB3ITGAVGAAITGA2BTAS1R3

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