SCHEMBL8003777

SCHEMBL8003777

CCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.76
PPARD Q03181 14/20 0.76
PPARA Q07869 13/20 0.76
NR1H2 P55055 11/20 0.76
NR1H3 Q13133 11/20 0.76

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
SCHEMBL7042800 0.92 PPARG (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044850 0.89 PPARA (0.69) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046234 0.89 PPARD (0.62) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7039142 0.88 PPARA (0.75) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7046443 0.88 PPARD (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL29816268 0.86 PPARD (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL2898933 0.86 PPARD (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7044517 0.83 PPARD (0.86) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL23139545 0.83 PPARD (0.84) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559245 0.81 PPARA (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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