SCHEMBL7044719

SCHEMBL7044719

CCCCc1cccc(-c2noc3c(CCCC)c(OCCCSCC(C(=O)O)c4ccccc4)ccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.55
PPARG P37231 19/20 0.55
PPARD Q03181 19/20 0.55

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
SCHEMBL7046187 0.93 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6560126 0.86 PPARG (0.50) PPARAPPARGPPARD
SCHEMBL7993954 0.85 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL7042930 0.81 PPARG (0.67) PPARAPPARGPPARD
SCHEMBL6559385 0.80 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL7042004 0.76 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL7042000 0.74 PPARG (0.73) PPARAPPARGPPARD
SCHEMBL7038852 0.71 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL7044211 0.70 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL2896562 0.70 PPARA (1.00) PPARAPPARGPPARD

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-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP 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
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