SCHEMBL7041791

SCHEMBL7041791

CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)n[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.70
PPARG P37231 19/20 0.70
PPARD Q03181 19/20 0.70
NR1H2 P55055 1/20 0.57
NR1H3 Q13133 1/20 0.57

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
SCHEMBL7046012 0.91 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL7040890 0.88 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL7038241 0.87 PPARD (0.61) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7041790 0.84 PPARA (0.64) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7042295 0.82 PPARA (1.00) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7038849 0.81 PPARD (0.71) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7044493 0.79 PPARG (0.56) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559159 0.78 PPARA (0.63) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560081 0.78 PPARA (0.71) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7041506 0.75 PPARA (0.64) 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 7 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
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