SCHEMBL7042930

SCHEMBL7042930

CCCCc1cccc(-c2noc3c(CCCC)c(OCCCSc4cccc(CCC(=O)O)c4)ccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.67
PPARD Q03181 19/20 0.67
PPARA Q07869 19/20 0.67

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
SCHEMBL7041513 0.96 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL7042000 0.88 PPARG (0.73) PPARGPPARDPPARA
SCHEMBL7993954 0.88 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL6559847 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL6559379 0.83 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL7042041 0.81 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL7044719 0.81 PPARA (0.55) PPARGPPARDPPARA
SCHEMBL7038852 0.80 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL7043287 0.79 PPARA (0.82) PPARGPPARDPPARA
SCHEMBL7042004 0.77 PPARA (0.59) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US claimed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed