SCHEMBL8256331

SCHEMBL8256331

O=CC[C@@]1(C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)O)CCCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
FOLH1 Q04609 2/20 0.41
PREP P48147 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL12934807 0.95 PREP (0.39) ITGB3ITGA2BPREP
SCHEMBL12934808 0.88 FAP (0.39) ITGB3ITGA2BPREP
SCHEMBL2084570 0.87 FOLH1 (0.47) ITGB3ITGA2BFOLH1PREP
SCHEMBL2082334 0.84 FOLH1 (0.49) ITGB3ITGA2BFOLH1
SCHEMBL8222427 0.80 FAP (0.42) ITGB3ITGA2BPREP
SCHEMBL24555462 0.79 FOLH1 (0.51) ITGB3ITGA2BFOLH1PREP
SCHEMBL28769352 0.79 FOLH1 (0.51) ITGB3ITGA2BFOLH1PREP
SCHEMBL22964984 0.79 FOLH1 (0.51) ITGB3ITGA2BFOLH1PREP
SCHEMBL1815135 0.79 FOLH1 (0.51) ITGB3ITGA2BFOLH1PREP
SCHEMBL22965036 0.77 ITGB3 (0.43) ITGB3ITGA2BFOLH1PREP

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
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 WO disclosed