SCHEMBL9733582

SCHEMBL9733582

CCCc1c(OCCCS(=O)(=O)c2ccc(C(O)CCCO)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.65
CYSLTR1 Q9Y271 15/20 0.65
GRM2 Q14416 2/20 0.52
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.49
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL9734563 0.91 CYSLTR2 (0.73) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL9734317 0.90 CYSLTR2 (0.64) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL9734313 0.90 CYSLTR2 (0.72) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL9734570 0.88 CYSLTR2 (0.62) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL10891172 0.87 CYSLTR2 (0.69) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL10698797 0.87 CYSLTR2 (0.69) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL10698768 0.85 CYSLTR2 (0.56) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL9734285 0.84 CYSLTR2 (0.83) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL9733456 0.83 CYSLTR2 (0.70) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL9733535 0.83 CYSLTR2 (0.72) CYSLTR2CYSLTR1GRM2PPARGPPARD

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-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP claimed
EP-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP claimed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 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-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP disclosed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 EP disclosed