SCHEMBL4065495

SCHEMBL4065495

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.60
PPARA Q07869 7/20 0.57
PPARD Q03181 6/20 0.57
NR1H2 P55055 11/20 0.56
NR1H3 Q13133 11/20 0.56

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
SCHEMBL4056736 0.86 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4064129 0.85 PPARG (0.64) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4055211 0.85 NR1H3 (0.65) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4065858 0.84 NR1H3 (0.66) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4063594 0.83 NR1H3 (0.65) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4064059 0.83 NR1H3 (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4052861 0.82 NR1H2 (0.57) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4063625 0.81 PPARG (0.63) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4059978 0.79 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4059815 0.79 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3

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