SCHEMBL7040314

SCHEMBL7040314

CCCc1c(OCCCNc2ccc(C(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)n[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.55
PPARG P37231 18/20 0.55
PPARD Q03181 18/20 0.55
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
GRM2 Q14416 1/20 0.41

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
SCHEMBL7043006 0.91 PPARA (0.55) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7038241 0.86 PPARD (0.61) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7040316 0.86 PPARA (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7044493 0.83 PPARG (0.56) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559223 0.80 PPARA (0.50) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7044061 0.79 PPARA (0.39) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7043010 0.77 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7046012 0.76 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL7041791 0.73 PPARA (0.70) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7038239 0.72 PPARD (0.60) PPARAPPARGPPARDNR1H2NR1H3

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