SCHEMBL9733726

SCHEMBL9733726

CCCc1c(OCC(O)CS(=O)(=O)c2ccc(C(=O)CCC(=O)O)cc2F)ccc(C(C)=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.57
CYSLTR1 Q9Y271 17/20 0.57
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
GRM2 Q14416 2/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
PPARG P37231 1/20 0.42
BLM P54132 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL6136985 0.91 GRM2 (0.54) CYSLTR2CYSLTR1MAPTMEN1PDE5A
SCHEMBL9734384 0.88 CYSLTR2 (0.57) CYSLTR2CYSLTR1MAPTMEN1PDE5A
SCHEMBL9734440 0.87 CYSLTR2 (0.73) CYSLTR2CYSLTR1MAPTMEN1PDE5A
SCHEMBL9733653 0.86 CYSLTR2 (0.75) CYSLTR2CYSLTR1MAPTGRM2LMNA
SCHEMBL9734025 0.85 CYSLTR2 (0.57) CYSLTR2CYSLTR1MAPTMEN1PDE5A
SCHEMBL9734144 0.83 CYSLTR2 (0.52) CYSLTR2CYSLTR1MAPTMEN1PDE5A
SCHEMBL9733208 0.80 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTGRM2LMNA
SCHEMBL9733931 0.79 CYSLTR2 (0.70) CYSLTR2CYSLTR1MAPTGRM2LMNA
SCHEMBL10696738 0.79 CYSLTR2 (0.58) CYSLTR2CYSLTR1MAPTGRM2LMNA
SCHEMBL9733643 0.78 CYSLTR2 (0.57) CYSLTR2CYSLTR1MAPTGRM2LMNA

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 7 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
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