SCHEMBL9733718

SCHEMBL9733718

CCCc1c(OCCCSc2ccc(CC(O)C(C)(C)C(=O)O)cc2Cl)ccc(C(C)=O)c1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.73
PPARD Q03181 9/20 0.73
PPARA Q07869 9/20 0.73
CYSLTR2 Q9NS75 7/20 0.51
CYSLTR1 Q9Y271 7/20 0.51
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
GRM2 Q14416 1/20 0.45
PDE5A O76074 2/20 0.44

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
SCHEMBL10699760 0.92 PPARG (0.69) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734876 0.91 PPARG (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733590 0.89 PPARG (0.56) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733664 0.87 CYSLTR2 (0.56) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10892351 0.85 PPARG (1.00) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734013 0.83 PPARG (0.70) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734936 0.83 PPARG (0.57) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10922774 0.83 PPARG (0.56) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6934196 0.82 PPARG (0.95) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733569 0.82 PPARG (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP disclosed
EP-0156233-A2 Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions MERCK & CO. INC. (US) 1985-10-02 EP disclosed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP disclosed