SCHEMBL9733525

SCHEMBL9733525

CCCc1c(O)c(C(C)=O)cc(Cl)c1OCCCSc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.50
CYSLTR1 Q9Y271 14/20 0.50
PPARG P37231 4/20 0.49
PPARA Q07869 4/20 0.49
PPARD Q03181 3/20 0.49
GRM2 Q14416 1/20 0.40

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
SCHEMBL9733414 0.91 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9734122 0.89 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9734473 0.89 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL11071575 0.84 USP5 (0.40) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10695767 0.84 CYSLTR2 (0.72) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733554 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733946 0.80 CYSLTR2 (0.72) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9734152 0.80 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733442 0.79 CYSLTR2 (0.55) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9734178 0.79 CYSLTR2 (0.65) CYSLTR2CYSLTR1PPARGPPARAPPARD

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 6 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-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-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