SCHEMBL4059978

SCHEMBL4059978

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.62
PPARA Q07869 13/20 0.62
PPARD Q03181 11/20 0.62
NR1H2 P55055 7/20 0.62
NR1H3 Q13133 7/20 0.62

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 0.92 PPARG (0.62) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4063144 0.86 PPARD (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4054594 0.85 PPARG (0.65) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4063560 0.85 PPARD (0.69) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4060698 0.83 PPARG (0.64) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL2001665 0.82 PPARD (0.72) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL12808880 0.81 PPARG (0.65) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4236162 0.80 PPARG (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL5012524 0.80 PPARG (0.66) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL4235867 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