SCHEMBL6137007

SCHEMBL6137007

CCCc1c(OCC(O)CSc2ccc(CC(=O)O)c(Cl)c2Cl)ccc(C(C)=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
CYSLTR2 Q9NS75 14/20 0.47
CYSLTR1 Q9Y271 14/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
PDE5A O76074 1/20 0.47
HPGD P15428 1/20 0.47
TBXAS1 P24557 1/20 0.47
KMT2A Q03164 1/20 0.47
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
SCHEMBL6137093 0.85 PPARG (0.74) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6137008 0.85 PPARG (0.73) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6138926 0.82 CYSLTR2 (0.49) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6136969 0.82 CYSLTR2 (0.47) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6136975 0.82 PPARG (0.59) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL10894773 0.82 PPARG (0.51) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6136976 0.81 PPARG (0.57) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6137144 0.78 GRM2 (0.55) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL9734144 0.76 CYSLTR2 (0.52) PPARGPPARDPPARACYSLTR2CYSLTR1
Acetic Acid Methyl Ester SCHEMBL11043323 0.76 CYSLTR2 (0.51) 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-A4 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2000-06-28 EP disclosed
EP-1011651-A1 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