SCHEMBL8650265

SCHEMBL8650265

CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
SCN9A Q15858 2/20 0.48
ACE P12821 2/20 0.48
PPARA Q07869 7/20 0.43
PPARG P37231 6/20 0.43
CTSS P25774 4/20 0.42
CTSK P43235 4/20 0.42
PPARD Q03181 2/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL16448036 0.88 PPARA (0.52) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL31725947 0.87 PTPN1 (0.48) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL1748990 0.84 ACE (0.53) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL1748989 0.84 ACE (0.53) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL7859251 0.83 ACE (0.52) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL7859254 0.83 ACE (0.52) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL5153113 0.83 ACE (0.52) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL12737917 0.82 PPARA (0.51) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL2796961 0.82 PPARA (0.51) PTPN1ITGB3ITGA2BSCN9AACE
SCHEMBL3188805 0.82 ITGB3 (0.71) PTPN1ITGB3ITGA2BACEPPARA

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
US-5714497-A EXHIBIT AFFINITY FOR BIOLOGICAL RECEPTORS OF NEUROPEPTIDE Y SANOFI (FR) 1998-02-03 US disclosed