SCHEMBL4757913

SCHEMBL4757913

CCCCC(C#N)Cn1cccc(NC(=O)N[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ITGB3 P05106 14/20 0.40
ITGA2B P08514 9/20 0.40
ITGAV P06756 6/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
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
SCHEMBL4757905 0.87 GAA (0.40) GAAITGB3ITGA2BITGAVTAS1R3
SCHEMBL4757908 0.83 ITGB3 (0.42) GAAITGB3ITGA2BITGAVF2R
SCHEMBL687571 0.81 ALDH1A1 (0.50) ITGB3ITGA2BITGAV
SCHEMBL686731 0.80 MAPT (0.55)
SCHEMBL687749 0.79 GAA (0.48) GAAITGB3ITGA2BITGAV
SCHEMBL687253 0.79 ITGB3 (0.44) ITGB3ITGA2BITGAVF2R
SCHEMBL695420 0.79 MAPT (0.54) ITGB3ITGA2B
SCHEMBL688325 0.79 ALDH1A1 (0.51) ITGB3ITGA2BITGAV
SCHEMBL686838 0.78 PTGER3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL687812 0.78 POLB (0.45) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed