SCHEMBL10691908

SCHEMBL10691908

CCCc1c(OCCCOc2cc(OCC(=O)OC)ccc2C(C)=O)ccc(C(C)=O)c1O

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.88
PPARD Q03181 3/20 0.88
PPARA Q07869 3/20 0.88
CYSLTR2 Q9NS75 13/20 0.76
CYSLTR1 Q9Y271 13/20 0.76
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
MAPT P10636 1/20 0.70
CYP2C9 P11712 1/20 0.70
NFKB1 P19838 1/20 0.70
BLM P54132 1/20 0.70
GRM2 Q14416 4/20 0.61

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
SCHEMBL6935918 0.94 PPARD (1.00) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10691224 0.89 CYSLTR2 (0.94) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10897974 0.89 CYSLTR2 (0.83) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10688244 0.87 PPARG (0.80) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10685393 0.86 PPARG (0.78) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10903791 0.86 CYSLTR2 (0.79) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10901373 0.86 CYSLTR2 (0.83) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10902702 0.83 CYSLTR2 (0.75) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10902839 0.83 CYSLTR2 (0.75) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10898540 0.83 CYSLTR2 (0.75) PPARGPPARDPPARACYSLTR2CYSLTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed