SCHEMBL6987137

SCHEMBL6987137

CCCc1cc(-c2onc3ccccc23)ccc1OCCCOc1ccc2c(c1)OC(CC)(C(=O)O)CC2

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.71
PPARA Q07869 18/20 0.71
PPARD Q03181 4/20 0.61

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
SCHEMBL6792621 0.88 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL7081636 0.81 PPARG (0.78) PPARGPPARAPPARD
SCHEMBL7079320 0.81 PPARG (0.95) PPARGPPARAPPARD
SCHEMBL6797752 0.79 PPARG (0.79) PPARGPPARAPPARD
SCHEMBL7085033 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7083301 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7077858 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7081789 0.78 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7082314 0.77 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7244058 0.77 PPARG (0.84) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP claimed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO claimed
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP disclosed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed