SCHEMBL9734207

SCHEMBL9734207

CCCc1c(O)c(C(C)=O)cc(CC)c1OCCCSc1ccc(C(O)C(C)CC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.75
CYSLTR1 Q9Y271 13/20 0.75
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
PPARD Q03181 3/20 0.42
LTB4R Q15722 2/20 0.39

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
SCHEMBL9733385 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10456745 0.91 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10456747 0.91 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733946 0.91 CYSLTR2 (0.72) CYSLTR2CYSLTR1PPARGPPARAPPARD
L-649923 SCHEMBL9733531 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARAPPARD
L-649923 SCHEMBL11070503 0.85 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARAPPARD
L-649923 SCHEMBL10923568 0.85 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733952 0.83 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9863283 0.81 CYSLTR2 (0.90) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9780204 0.81 CYSLTR2 (0.89) 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 7 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-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