SCHEMBL9733698

SCHEMBL9733698

CCCc1c(OCCCOc2ccc(CC(O)C(C)(C)C(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.66
PPARD Q03181 2/20 0.66
PPARA Q07869 2/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
NFKB1 P19838 1/20 0.66
BLM P54132 1/20 0.66
GRM2 Q14416 5/20 0.63
CYSLTR2 Q9NS75 13/20 0.57
CYSLTR1 Q9Y271 13/20 0.57

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
SCHEMBL9735365 0.89 CYSLTR1 (0.65) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9733590 0.88 PPARG (0.56) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10697719 0.88 PPARG (0.52) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9733569 0.88 PPARG (0.52) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9733711 0.87 CYSLTR2 (0.63) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9734155 0.84 PPARG (0.67) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11023228 0.83 PPARG (0.69) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9733664 0.82 CYSLTR2 (0.56) PPARGPPARDPPARALMNACYP1A2
SCHEMBL9733695 0.82 PPARG (0.70) PPARGPPARDPPARALMNACYP1A2
SCHEMBL3894010 0.82 PPARG (0.80) PPARGPPARDPPARALMNACYP1A2

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 5 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-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP 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