SCHEMBL9734152

SCHEMBL9734152

C=C(COc1ccc(C(=O)CCC(=O)O)cc1)COc1c(Cl)cc(C(C)=O)c(O)c1CCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.46
CYSLTR1 Q9Y271 14/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 1/20 0.44
GRM2 Q14416 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39

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 0.83 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733525 0.80 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10695767 0.79 CYSLTR2 (0.72) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733764 0.74 PPARG (0.63) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9638148 0.74 CYSLTR2 (0.60) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733643 0.73 CYSLTR2 (0.57) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733661 0.72 GRM2 (0.75) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733479 0.71 CYSLTR2 (0.59) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL9733414 0.70 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARGPPARAPPARD
SCHEMBL10898662 0.70 CYSLTR2 (0.78) CYSLTR2CYSLTR1PPARGPPARAPPARD

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 4 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