SCHEMBL5793096

SCHEMBL5793096

CC(C)(Oc1ccc(CC(=O)OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MAPK1 P28482 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PPARG P37231 15/20 0.61
PPARA Q07869 12/20 0.57
PPARD Q03181 3/20 0.57
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
LIPE Q05469 1/20 0.47

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
SCHEMBL6080934 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL5795465 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL6784181 0.82 ALDH1A1 (0.96) ALDH1A1MAPK1L3MBTL1KMT2ALIPE
SCHEMBL1171464 0.81 ALDH1A1 (0.74) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL5795674 0.81 PPARG (0.83) PPARGPPARAPPARD
SCHEMBL11684699 0.81 ALDH1A1 (0.74) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL11566625 0.81 PPARG (0.70) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL5793165 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL361779 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1KMT2A
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