SCHEMBL4063144

SCHEMBL4063144

CCCc1c(OCCCOc2ccc3[nH]cc(CC(=O)O)c3c2)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.71
PPARG P37231 13/20 0.71
PPARA Q07869 13/20 0.71
NR1H2 P55055 12/20 0.71
NR1H3 Q13133 12/20 0.71

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
SCHEMBL4063560 0.98 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL2001665 0.94 PPARD (0.72) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4060698 0.93 PPARG (0.64) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4054594 0.93 PPARG (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4053978 0.89 NR1H3 (0.64) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4059860 0.88 PPARA (0.71) PPARDPPARGPPARA
SCHEMBL4059978 0.86 PPARG (0.62) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4236162 0.86 PPARG (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4056736 0.85 PPARG (0.62) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL4055211 0.85 NR1H3 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed