SCHEMBL8650368

SCHEMBL8650368

COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.52
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.52
ACE P12821 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
PTPN1 P18031 2/20 0.48
ABCB1 P08183 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TACR1 P25103 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL8650372 1.00 SCN9A (0.52) SCN9APPARAPPARGACEITGB3
SCHEMBL1310039 0.88 PTPN1 (0.53) SCN9APPARAPPARGACEITGB3
SCHEMBL16448036 0.88 PPARA (0.52) SCN9APPARAPPARGACEITGB3
SCHEMBL28956926 0.87 PTPN1 (0.54) SCN9APPARAPPARGACEITGB3
SCHEMBL24981983 0.87 ACE (0.49) SCN9APPARAPPARGACEITGB3
SCHEMBL28989259 0.87 ACE (0.49) SCN9APPARAPPARGACEITGB3
SCHEMBL16448238 0.87 PTPN1 (0.55) SCN9APPARAPPARGACEITGB3
SCHEMBL3376442 0.84 TACR1 (0.60) SCN9APPARAPPARGACEITGB3
SCHEMBL3376451 0.84 TACR1 (0.60) SCN9APPARAPPARGACEITGB3
SCHEMBL31407351 0.84 TACR1 (0.60) SCN9APPARAPPARGACEITGB3

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