SCHEMBL6137019

SCHEMBL6137019

CCCc1c(OC/C=C\S(=O)(=O)c2ccc(CC(=O)O)c(F)c2)ccc(C(C)=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.46
CYSLTR1 Q9Y271 17/20 0.46
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 1/20 0.44
GRM2 Q14416 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
SCHEMBL6137141 1.00 CYSLTR2 (0.46) CYSLTR2CYSLTR1PPARGPPARDPPARA
Acetic Acid SCHEMBL6136962 0.83 CYSLTR1 (0.48) CYSLTR2CYSLTR1PPARGPPARDPPARA
Acetic Acid SCHEMBL6136959 0.83 CYSLTR1 (0.48) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6136994 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10892400 0.76 PPARG (0.64) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6138926 0.73 CYSLTR2 (0.49) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10696738 0.72 CYSLTR2 (0.58) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6136967 0.72 CTSD (0.40) CYSLTR2CYSLTR1
SCHEMBL9821841 0.71 PPARG (0.55) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10952442 0.71 GRM2 (0.64) CYSLTR2CYSLTR1PPARGPPARDPPARA

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 6 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
US-5847008-A Method of treating diabetes and related disease states MERCK & CO., INC. (US) 1998-12-08 US claimed
EP-0106565-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-09-10 EP claimed
EP-1011651-B1 METHOD OF TREATING DIABETES AND RELATED DISEASE STATES MERCK & CO INC (US) 2005-04-27 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