SCHEMBL9734709

SCHEMBL9734709

CCCc1c(OCC(O)CSc2ccc(C(=O)CCC(=O)OC)c(O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
CYSLTR2 Q9NS75 15/20 0.47
CYSLTR1 Q9Y271 15/20 0.47
MEN1 O00255 1/20 0.47
PDE5A O76074 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TBXAS1 P24557 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9734553 0.91 CYSLTR2 (0.50) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734712 0.85 PPARG (0.46) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734175 0.84 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10893739 0.84 PPARG (0.50) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733478 0.83 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733285 0.81 CYSLTR2 (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
Acetic Acid Methyl Ester SCHEMBL11043323 0.81 CYSLTR2 (0.51) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733884 0.79 CYSLTR2 (0.47) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6136976 0.78 PPARG (0.57) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6138926 0.77 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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