SCHEMBL9733466

SCHEMBL9733466

CCCc1c(OCC(C)COc2ccc(C(=O)CCC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 16/20 0.62
CYSLTR2 Q9NS75 15/20 0.62
GRM2 Q14416 3/20 0.59
PPARG P37231 2/20 0.57
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL9733661 0.87 GRM2 (0.75) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9733416 0.84 CYSLTR2 (0.62) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9733285 0.81 CYSLTR2 (0.59) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL10742723 0.81 MAPT (0.58) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9638148 0.81 CYSLTR2 (0.60) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9734440 0.81 CYSLTR2 (0.73) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9734384 0.80 CYSLTR2 (0.57) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9733554 0.78 CYSLTR2 (0.70) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL10896837 0.78 MAPT (0.54) CYSLTR1CYSLTR2GRM2PPARGPPARD
SCHEMBL9733776 0.78 MAPT (0.54) CYSLTR1CYSLTR2GRM2PPARGPPARD

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