SCHEMBL6925941

SCHEMBL6925941

CCCc1c(OCCc2ccc3ccc(CC(=O)O)cc3n2)ccc2c(CC(C)(C)C)noc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.54
PPARA Q07869 15/20 0.54
PPARG P37231 13/20 0.54
NR1H3 Q13133 15/20 0.53
NR1H2 P55055 14/20 0.53

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
SCHEMBL6928324 0.89 PPARD (0.52) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL6927599 0.85 PPARG (0.69) PPARDPPARAPPARG
SCHEMBL7042207 0.83 PPARD (0.60) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7038876 0.83 PPARD (0.60) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5973350 0.83 PPARD (0.53) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5973183 0.83 PPARD (0.53) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5972939 0.83 PPARD (0.52) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7473597 0.82 PPARD (0.73) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL5973409 0.82 PPARD (0.58) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7044588 0.81 PPARG (0.73) PPARDPPARAPPARGNR1H3NR1H2

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