SCHEMBL9733748

SCHEMBL9733748

CCCc1cc(C(=O)CCC(=O)OC)ccc1SCCCOc1ccc(C(C)=O)c(O)c1CCC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
PPARD Q03181 3/20 0.56
PPARA Q07869 3/20 0.56
CYSLTR2 Q9NS75 13/20 0.51
CYSLTR1 Q9Y271 13/20 0.51
GRM2 Q14416 2/20 0.50

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
SCHEMBL9733301 0.91 PPARG (0.62) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10922007 0.86 PPARG (0.54) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733724 0.83 CYSLTR2 (0.58) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10697713 0.82 CYSLTR2 (0.64) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10554170 0.82 PPARG (0.61) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734011 0.81 PPARG (0.61) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10918614 0.81 PPARG (0.76) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733378 0.80 CYSLTR2 (0.62) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10919270 0.79 CYSLTR2 (0.69) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734503 0.79 PPARG (0.57) 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 3 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
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