SCHEMBL4757905

SCHEMBL4757905

CCCCCC(C#N)n1cccc(NC(=O)N[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ITGB3 P05106 11/20 0.40
ITGAV P06756 3/20 0.40
ITGA2B P08514 9/20 0.39
F2R P25116 1/20 0.36
CASP1 P29466 2/20 0.36
LMNA P02545 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
SCHEMBL4757913 0.87 GAA (0.41) GAAITGB3ITGAVITGA2BF2R
SCHEMBL4757908 0.79 ITGB3 (0.42) GAAITGB3ITGAVITGA2BF2R
SCHEMBL687571 0.76 ALDH1A1 (0.50) ITGB3ITGAVITGA2BLMNA
SCHEMBL686731 0.75 MAPT (0.55) LMNA
SCHEMBL687749 0.75 GAA (0.48) GAAITGB3ITGAVITGA2BCASP1
SCHEMBL687253 0.74 ITGB3 (0.44) ITGB3ITGAVITGA2BF2R
SCHEMBL688325 0.74 ALDH1A1 (0.51) ITGB3ITGAVITGA2BLMNA
SCHEMBL695420 0.74 MAPT (0.54) ITGB3ITGA2BLMNA
SCHEMBL4428450 0.74 POLB (0.41) GAAITGB3ITGAVITGA2BCASP1
SCHEMBL686838 0.74 PTGER3 (0.51) ITGB3ITGAVITGA2BCASP1LMNA

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