SCHEMBL6138926

SCHEMBL6138926

CCCc1c(OCC(O)CSc2ccc(CC(=O)O)c(F)c2)ccc(C(C)=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.49
CYSLTR1 Q9Y271 16/20 0.49
MAPT P10636 2/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
MEN1 O00255 1/20 0.49
PDE5A O76074 1/20 0.49
HPGD P15428 1/20 0.49
TBXAS1 P24557 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
GRM2 Q14416 1/20 0.43

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
SCHEMBL9733478 0.87 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL6136976 0.86 PPARG (0.57) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL10892400 0.85 PPARG (0.64) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL9734712 0.84 PPARG (0.46) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL6136975 0.83 PPARG (0.59) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL6136994 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL6137007 0.82 PPARG (0.53) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL9734553 0.81 CYSLTR2 (0.50) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL9733285 0.80 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTPPARGPPARD
SCHEMBL6137093 0.80 PPARG (0.74) CYSLTR2CYSLTR1MAPTPPARGPPARD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1011651-B1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1011651-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES Merck & Co., Inc. (US) 2000-06-28 EP disclosed
EP-1011651-A4 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2000-06-28 EP disclosed
US-6020382-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 2000-02-01 US disclosed
US-5847008-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 1998-12-08 US disclosed
WO-1997027847-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO., INC. (US) 1997-08-07 WO disclosed
EP-0106565-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-25 EP disclosed