SCHEMBL4064129

SCHEMBL4064129

CCCc1c(OCCCOc2cccc3[nH]cc(CCC(=O)O)c23)ccc2c(C(F)(F)F)noc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.64
PPARD Q03181 8/20 0.61
PPARA Q07869 7/20 0.61
NR1H2 P55055 12/20 0.60
NR1H3 Q13133 12/20 0.60

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
SCHEMBL4055211 0.94 NR1H3 (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4065858 0.92 NR1H3 (0.66) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4063594 0.91 NR1H3 (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4064059 0.91 NR1H3 (0.62) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4052861 0.89 NR1H2 (0.57) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4063625 0.87 PPARG (0.63) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4054594 0.86 PPARG (0.65) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4065495 0.85 PPARG (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4059815 0.85 PPARG (0.62) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4054337 0.83 NR1H2 (0.49) 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
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