SCHEMBL10697713

SCHEMBL10697713

CCCc1cc(C(=O)CCC(=O)OC)ccc1S(=O)(=O)CCCOc1ccc(C(C)=O)c(O)c1CCC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.64
CYSLTR1 Q9Y271 15/20 0.64
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
GRM2 Q14416 2/20 0.52
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

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
SCHEMBL9733439 0.92 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733844 0.83 CYSLTR2 (0.79) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733653 0.82 CYSLTR2 (0.75) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733748 0.82 PPARG (0.56) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10918614 0.80 PPARG (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733931 0.79 CYSLTR2 (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10919270 0.79 CYSLTR2 (0.69) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6137005 0.78 GRM2 (0.66) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-648051 SCHEMBL157166 0.78 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-648051 SCHEMBL30997207 0.77 CYSLTR2 (0.98) 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
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP claimed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP disclosed