SCHEMBL9733764

SCHEMBL9733764

C=C(COc1ccc(C(=O)CCC(=O)OC)cc1)COc1ccc(C(C)=O)c(O)c1CCC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.63
PPARD Q03181 2/20 0.63
PPARA Q07869 2/20 0.63
GRM2 Q14416 6/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
BLM P54132 1/20 0.55
CYSLTR2 Q9NS75 12/20 0.51
CYSLTR1 Q9Y271 12/20 0.51

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
SCHEMBL9733416 0.90 CYSLTR2 (0.62) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10918614 0.87 PPARG (0.76) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9733767 0.83 PPARG (0.63) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10685393 0.79 PPARG (0.78) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9733643 0.79 CYSLTR2 (0.57) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6935918 0.78 PPARD (1.00) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9733479 0.78 CYSLTR2 (0.59) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9733661 0.77 GRM2 (0.75) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10635326 0.76 PPARG (0.48) PPARGPPARDPPARAGRM2LMNA
SCHEMBL2354985 0.76 CYSLTR2 (0.58) PPARGPPARDPPARAGRM2LMNA

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