SCHEMBL9734712

SCHEMBL9734712

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
CYSLTR2 Q9NS75 14/20 0.46
CYSLTR1 Q9Y271 14/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
PDE5A O76074 1/20 0.46
HPGD P15428 1/20 0.46
TBXAS1 P24557 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL9734709 0.85 PPARG (0.47) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10893739 0.84 PPARG (0.50) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6138926 0.84 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734553 0.81 CYSLTR2 (0.50) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6136976 0.81 PPARG (0.57) PPARGPPARDPPARACYSLTR2CYSLTR1
Acetic Acid Methyl Ester SCHEMBL11043323 0.80 CYSLTR2 (0.51) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733478 0.78 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734175 0.78 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733884 0.78 CYSLTR2 (0.47) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733285 0.77 CYSLTR2 (0.59) 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