SCHEMBL7040316

SCHEMBL7040316

CCCc1c(OCCCNc2ccc(C(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)[nH]nc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.51
PPARG P37231 16/20 0.51
PPARD Q03181 16/20 0.51
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
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
SCHEMBL7043010 0.91 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7038239 0.86 PPARD (0.60) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7040314 0.86 PPARA (0.55) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7044491 0.83 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559223 0.80 PPARA (0.50) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7044058 0.79 PPARA (0.38) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7043006 0.77 PPARA (0.55) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7041506 0.76 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL7046584 0.75 PPARG (0.62) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL7041790 0.74 PPARA (0.64) 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