SCHEMBL9733385

SCHEMBL9733385

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.75
CYSLTR1 Q9Y271 15/20 0.75
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL9734207 0.93 CYSLTR2 (0.75) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10456745 0.91 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10456747 0.91 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733946 0.91 CYSLTR2 (0.72) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL9733531 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL11070503 0.85 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL10923568 0.85 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733481 0.84 CYSLTR2 (0.53) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733952 0.83 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9863283 0.81 CYSLTR2 (0.90) 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 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