SCHEMBL9734508

SCHEMBL9734508

CCCc1c(OCCCSc2cccc(CC(O)C(C)C(=O)O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.59
CYSLTR1 Q9Y271 13/20 0.59
PPARG P37231 3/20 0.55
PPARD Q03181 3/20 0.55
PPARA Q07869 3/20 0.55
PDE5A O76074 3/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48
GRM2 Q14416 1/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
TBXAS1 P24557 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9735067 0.90 CYSLTR2 (0.67) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733664 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10697666 0.82 CYSLTR2 (0.53) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9734155 0.82 PPARG (0.67) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780487 0.82 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10925196 0.80 CYSLTR2 (0.77) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9734502 0.79 CYSLTR2 (0.82) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9734013 0.79 PPARG (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733515 0.79 PPARG (0.57) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10918928 0.78 CYSLTR2 (0.64) 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 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