SCHEMBL9733593

SCHEMBL9733593

CCCc1cc(C(O)C(C)CC(=O)O)ccc1SCCCOc1ccc(C(C)=O)c(O)c1CCC

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.79
CYSLTR1 Q9Y271 14/20 0.79
PPARG P37231 4/20 0.59
PPARD Q03181 4/20 0.59
PPARA Q07869 4/20 0.59
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
GRM2 Q14416 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
SCHEMBL10919104 0.91 CYSLTR2 (0.77) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10921383 0.91 CYSLTR2 (0.77) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10921752 0.90 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10920717 0.90 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10921745 0.90 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10920728 0.90 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9734502 0.89 CYSLTR2 (0.82) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9735528 0.89 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL9733531 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL11070503 0.87 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 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