SCHEMBL5795465

SCHEMBL5795465

CC(C)(Oc1cccc(CC(=O)OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PPARG P37231 12/20 0.56
PPARA Q07869 7/20 0.56
PPARD Q03181 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BCL9 O00512 4/20 0.45
CTNNB1 P35222 4/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL6081371 0.88 PPARA (0.61) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL5793096 0.86 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL6542904 0.84 PPARG (0.53) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL5795203 0.83 PPARG (0.64) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL21336442 0.82 L3MBTL1 (0.65) ALDH1A1MAPK1L3MBTL1
SCHEMBL11215916 0.81 PPARG (0.61) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL7248386 0.81 PPARG (0.61) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL5793165 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL1137350 0.80 ALDH1A1 (0.67) ALDH1A1MAPK1L3MBTL1CYP4F2CYP4A11
SCHEMBL5795000 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1PPARGPPARA

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