SCHEMBL7038846

SCHEMBL7038846

CCCc1c(OCCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)[nH]nc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.65
PPARG P37231 17/20 0.65
PPARA Q07869 16/20 0.65
NR1H2 P55055 4/20 0.59
NR1H3 Q13133 4/20 0.59

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
SCHEMBL7038849 0.87 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8672576 0.83 PPARD (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6560112 0.83 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7040885 0.82 PPARG (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8441098 0.81 PPARG (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7041790 0.81 PPARA (0.64) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7046584 0.79 PPARG (0.62) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7040820 0.79 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL29361589 0.79 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL4296303 0.79 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3

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