SCHEMBL9734036

SCHEMBL9734036

CCCc1c(OCCCSc2ccc(C(=O)C(C)(C)CC(=O)O)cc2F)ccc(C(C)=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.59
PPARD Q03181 4/20 0.59
PPARA Q07869 4/20 0.59
GRM2 Q14416 1/20 0.51
CYSLTR2 Q9NS75 15/20 0.51
CYSLTR1 Q9Y271 15/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 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
SCHEMBL10922068 0.99 PPARG (0.58) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL10922057 0.99 PPARG (0.58) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL9733903 0.92 PPARG (0.53) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL9734011 0.92 PPARG (0.61) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL9734039 0.90 PPARG (0.71) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL6136999 0.88 GRM2 (0.66) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL9733331 0.87 CYSLTR2 (0.63) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL9733589 0.86 CYSLTR2 (0.56) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL10554170 0.86 PPARG (0.61) PPARGPPARDPPARAGRM2CYSLTR2
SCHEMBL10919215 0.85 CYSLTR2 (0.58) PPARGPPARDPPARAGRM2CYSLTR2

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
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP claimed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP claimed
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