SCHEMBL6925949

SCHEMBL6925949

CCCc1c(OCCc2ncc3cc(CC(=O)O)ccc3n2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.61
PPARA Q07869 17/20 0.61
PPARG P37231 16/20 0.61
NR1H2 P55055 9/20 0.46
NR1H3 Q13133 9/20 0.46

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
SCHEMBL6926183 0.88 PPARD (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6926401 0.86 PPARD (0.52) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5973012 0.82 PPARD (0.63) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5973578 0.82 PPARD (0.63) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5973024 0.81 PPARG (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6560101 0.81 PPARD (0.71) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6926269 0.80 PPARG (0.67) PPARDPPARAPPARG
SCHEMBL5973469 0.80 PPARG (0.62) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6560081 0.79 PPARA (0.71) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL5973876 0.79 PPARG (0.63) PPARDPPARAPPARGNR1H2NR1H3

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-0948327-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
EP-0948327-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-10-13 EP claimed
WO-1998027974-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1998-07-02 WO claimed
EP-0948327-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6515015-B1 In combination with one or more known sulfonylureas, biguanides, alpha -glucosidase inhibitors, other insulin secretogogues or insulin MERCK & CO. INC. 2003-02-04 US disclosed
US-6160000-A Antidiabetic agents based on aryl and heteroarylacetic acids MERCK & CO., INC. (US) 2000-12-12 US disclosed
US-6090839-A REDUCING TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0948327-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-10-13 EP disclosed
WO-1998027974-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1998-07-02 WO disclosed