SCHEMBL11240331

SCHEMBL11240331

O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.63
PPARG P37231 2/20 0.63
ITGB3 P05106 12/20 0.60
ITGA2B P08514 12/20 0.60
ACE P12821 2/20 0.56
MME P08473 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
ITGAV P06756 1/20 0.53

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
SCHEMBL7320713 0.88 PPARA (0.72) PPARAPPARGACE
SCHEMBL9161282 0.87 ITGB3 (0.75) PPARGITGB3ITGA2BACEMME
SCHEMBL14338208 0.87 ITGB3 (0.75) PPARGITGB3ITGA2BACEMME
SCHEMBL27703721 0.87 ITGB3 (0.75) PPARGITGB3ITGA2BACEMME
SCHEMBL1023326 0.87 ITGB3 (0.75) PPARGITGB3ITGA2BACEMME
SCHEMBL5396458 0.85 ITGB3 (0.71) PPARGITGB3ITGA2BACEMME
SCHEMBL19170415 0.85 ITGB3 (0.71) PPARGITGB3ITGA2BACEMME
SCHEMBL5401472 0.85 ITGB3 (0.71) PPARGITGB3ITGA2BACEMME
SCHEMBL7318941 0.84 PPARA (0.66) PPARAPPARGACE
SCHEMBL7318936 0.83 PPARA (0.64) PPARAPPARGMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350628-A OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE RESEARCH CORPORATION (US) 1982-09-21 US disclosed
US-4283328-A TREATING AN N-BLOCKED AMINO ACID RESIDUE WITH A TETRAMETHYL GUANIDINIUM SALT OF A PEPTIDE CHAIN RESEARCH CORPORATION (US) 1981-08-11 US disclosed
US-4261884-A DESIRABLE BIOLOGICAL PROPERTIES AND STABILITY TO ENZYME CLEAVAGE RESEARCH CORPORATION (US) 1981-04-14 US disclosed