SCHEMBL7041196

SCHEMBL7041196

CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)ccc2c(CC)noc12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.61
PPARD Q03181 18/20 0.61
PPARG P37231 17/20 0.61
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
GRM2 Q14416 1/20 0.52

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
SCHEMBL7042012 0.90 PPARA (0.74) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7040699 0.84 PPARA (0.57) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7041508 0.83 PPARG (0.75) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7043426 0.83 PPARA (0.60) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7107505 0.83 PPARA (0.76) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5204898 0.82 PPARA (0.61) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7041543 0.81 GRM2 (0.52) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7042027 0.81 PPARG (0.59) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL5206638 0.81 PPARA (0.65) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL7041462 0.81 PPARG (0.54) PPARAPPARDPPARGNR1H2NR1H3

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 2 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 disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed