SCHEMBL4055211

SCHEMBL4055211

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 14/20 0.65
NR1H2 P55055 13/20 0.65
PPARG P37231 12/20 0.65
PPARD Q03181 11/20 0.65
PPARA Q07869 10/20 0.65

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
SCHEMBL4065858 0.98 NR1H3 (0.66) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4063594 0.98 NR1H3 (0.65) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4064059 0.98 NR1H3 (0.62) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4064129 0.94 PPARG (0.64) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4063625 0.93 PPARG (0.63) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4052861 0.92 NR1H2 (0.57) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4059815 0.92 PPARG (0.62) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4063178 0.88 PPARG (0.75) PPARGPPARDPPARA
SCHEMBL2001665 0.86 PPARD (0.72) NR1H3NR1H2PPARGPPARDPPARA
SCHEMBL4065495 0.85 PPARG (0.60) NR1H3NR1H2PPARGPPARDPPARA

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