SCHEMBL9733277

SCHEMBL9733277

CCCc1c(OCCCSc2ccc(C(O)CCC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.73
CYSLTR1 Q9Y271 16/20 0.73
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
BLM P54132 1/20 0.54
GRM2 Q14416 1/20 0.52

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
SCHEMBL9780258 0.96 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733456 0.91 CYSLTR2 (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780365 0.90 CYSLTR2 (0.60) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10896565 0.87 CYSLTR2 (0.75) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10696496 0.85 CYSLTR2 (0.63) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL9733531 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780179 0.84 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733554 0.84 CYSLTR2 (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL11070503 0.84 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9734563 0.84 CYSLTR2 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP claimed
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP claimed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 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
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