SCHEMBL9735360

SCHEMBL9735360

CCCc1c(OCCCOc2cccc(C(O)C(C)(C)CC(=O)O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.69
CYSLTR1 Q9Y271 17/20 0.69
PPARG P37231 2/20 0.60
PPARD Q03181 2/20 0.60
PPARA Q07869 2/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
BLM P54132 1/20 0.60
GRM2 Q14416 1/20 0.55

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
SCHEMBL10918241 0.99 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10918233 0.99 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10918236 0.91 CYSLTR1 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733695 0.89 PPARG (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733663 0.88 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10915975 0.87 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10915969 0.87 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733586 0.86 CYSLTR2 (0.57) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733565 0.86 PPARG (0.56) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10697716 0.86 PPARG (0.56) CYSLTR2CYSLTR1PPARGPPARDPPARA

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-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