SCHEMBL7043010

SCHEMBL7043010

CCCc1c(OCCCNc2cccc(C(C)(C)C(=O)O)c2)ccc2c(-c3ccccc3)[nH]nc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.51
PPARD Q03181 15/20 0.51
PPARA Q07869 15/20 0.51
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
GRM2 Q14416 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL7040316 0.91 PPARA (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7043006 0.86 PPARA (0.55) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7038239 0.81 PPARD (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560026 0.81 PPARG (0.50) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044058 0.79 PPARA (0.38) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044491 0.78 PPARG (0.51) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7040314 0.77 PPARA (0.55) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7041506 0.74 PPARA (0.64) PPARGPPARDPPARA
SCHEMBL7040885 0.73 PPARG (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046584 0.73 PPARG (0.62) PPARGPPARDPPARANR1H2NR1H3

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
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