SCHEMBL5795203

SCHEMBL5795203

CC(C)(Oc1cccc(CC(=O)O)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.64
▸ PPARA Q07869 8/20 0.64
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP4F2 P78329 3/20 0.48
▸ CYP4A11 Q02928 3/20 0.48
▸ PPARD Q03181 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PLA2G4B P0C869 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46

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
SCHEMBL7248386 0.88 PPARG (0.61) PPARGPPARACYP1A2CYP2C19CYP4F2
SCHEMBL11215916 0.88 PPARG (0.61) PPARGPPARACYP1A2CYP2C19CYP4F2
SCHEMBL8591991 0.86 CYP1A2 (0.51) PPARGPPARACYP1A2CYP2C19PPARD
SCHEMBL1550516 0.85 PPARA (0.49) PPARGPPARACYP1A2CYP2C19PPARD
SCHEMBL6081046 0.84 PPARA (0.67) PPARGPPARACYP1A2CYP2C19CYP3A4
SCHEMBL5795465 0.83 ALDH1A1 (0.56) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL3840661 0.83 PPARG (0.71) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL3848011 0.82 PPARA (0.69) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL4034371 0.82 PPARA (0.69) PPARGPPARACYP1A2CYP2C19CYP4F2
SCHEMBL5561664 0.82 CYP1A2 (0.55) PPARGPPARACYP1A2CYP2C19PPARD

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-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 — — WO disclosed
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