SCHEMBL10695767

SCHEMBL10695767

CCCc1c(O)c(C(C)=O)cc(Cl)c1OCCCS(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.72
CYSLTR1 Q9Y271 14/20 0.72
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
GRM2 Q14416 2/20 0.41
PPARD Q03181 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9734567 0.90 CYSLTR2 (0.72) CYSLTR2CYSLTR1GRM2THRATHRB
SCHEMBL9733525 0.84 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARAGRM2
L-648051 SCHEMBL157166 0.84 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARAGRM2
L-648051 SCHEMBL30997207 0.83 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARAGRM2
SCHEMBL9734027 0.79 CYSLTR2 (0.91) CYSLTR2CYSLTR1PPARGPPARAGRM2
SCHEMBL9734152 0.79 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARAGRM2
SCHEMBL9738293 0.78 CYSLTR2 (0.79) CYSLTR2CYSLTR1PPARGPPARAGRM2
SCHEMBL9733450 0.76 CYSLTR2 (0.70) CYSLTR2CYSLTR1PPARGPPARAGRM2
SCHEMBL10920237 0.76 CYSLTR2 (0.84) CYSLTR2CYSLTR1PPARGPPARAGRM2
SCHEMBL11073016 0.75 CYSLTR2 (0.80) CYSLTR2CYSLTR1PPARGPPARAGRM2

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
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