SCHEMBL13819720

SCHEMBL13819720

Cc1ccc(-c2cccc(CC(OC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.57
PPARA Q07869 12/20 0.57
PPARD Q03181 2/20 0.48
PTGS2 P35354 1/20 0.48
FFAR1 O14842 1/20 0.46
SRR Q9GZT4 2/20 0.46
PSAT1 Q9Y617 2/20 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
SCHEMBL13819721 0.88 PPARG (0.55) PPARGPPARAPPARDPTGS2
SCHEMBL13819476 0.85 PPARG (0.52) PPARGPPARAPPARDPTGS2
SCHEMBL13819283 0.84 PPARG (0.47) PPARGPPARAPPARDPTGS2
SCHEMBL4342524 0.81 PPARG (0.51) PPARGPPARAPPARDFFAR1SRR
SCHEMBL13819376 0.81 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL13819357 0.80 MAOB (0.53) PPARGPPARAPPARDFFAR1
SCHEMBL13819711 0.80 PPARG (0.57) PPARGPPARAPPARDFFAR1
SCHEMBL2866290 0.79 GRIA2 (0.48) PPARGPPARAPPARDSRR
SCHEMBL4348224 0.79 GRIA2 (0.48) PPARGPPARAPPARDSRR
SCHEMBL13819285 0.78 PPARG (0.46) PPARGPPARAPPARDSRRPSAT1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed