SCHEMBL10691645

SCHEMBL10691645

CCc1c(OCCCBr)ccc(C(C)=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
LMNA P02545 2/20 0.53
GRM2 Q14416 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.53
CYSLTR2 Q9NS75 16/20 0.52
CYSLTR1 Q9Y271 16/20 0.52
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX5 P09917 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL4343526 0.89 PPARG (0.67) PPARGPPARDPPARALMNAGRM2
SCHEMBL6362913 0.85 GRM2 (0.72) PPARGPPARDPPARALMNAGRM2
SCHEMBL10690507 0.84 CYSLTR2 (0.69) PPARGPPARDPPARALMNAGRM2
SCHEMBL11041690 0.84 GRM2 (0.71) PPARGPPARDPPARALMNAGRM2
SCHEMBL10690212 0.84 GRM2 (0.71) PPARGPPARDPPARALMNAGRM2
SCHEMBL9381009 0.84 GRM2 (0.71) PPARGPPARDPPARALMNAGRM2
SCHEMBL9621096 0.84 PPARG (0.46) PPARGPPARDPPARALMNAGRM2
SCHEMBL10685078 0.82 MAPT (0.59) GRM2MAPTCYP2C9TDP1
SCHEMBL9377985 0.82 CYSLTR2 (0.52) PPARGPPARDPPARALMNAGRM2
SCHEMBL4915595 0.82 PPARG (0.65) PPARGPPARDPPARALMNAGRM2

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