SCHEMBL6137013

SCHEMBL6137013

CCCc1c(OCCCS(=O)(=O)c2ccc(CC(=O)O)cc2Cl)ccc(C(C)=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.68
PPARD Q03181 4/20 0.68
PPARA Q07869 4/20 0.68
CYSLTR2 Q9NS75 14/20 0.58
CYSLTR1 Q9Y271 14/20 0.58
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 1/20 0.52
GRM2 Q14416 1/20 0.52
PDE5A O76074 1/20 0.49

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
SCHEMBL6136920 0.85 CYSLTR2 (0.60) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6137054 0.85 PPARG (0.58) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6137187 0.85 CYSLTR2 (0.75) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9733470 0.82 CYSLTR2 (0.64) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10358954 0.82 CYSLTR1 (0.60) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10892351 0.81 PPARG (1.00) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6934196 0.80 PPARG (0.95) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10802897 0.79 PPARG (0.66) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL5132201 0.79 PPARG (0.66) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6137005 0.79 GRM2 (0.66) PPARGPPARDPPARACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011651-B1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2005-04-27 EP claimed
EP-1011651-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES Merck & Co., Inc. (US) 2000-06-28 EP claimed
EP-1011651-A4 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2000-06-28 EP claimed
US-5847008-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 1998-12-08 US claimed
WO-1997027847-A1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO., INC. (US) 1997-08-07 WO 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
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-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