SCHEMBL4016953

SCHEMBL4016953

CS(=O)(=O)c1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.78
NR1H3 Q13133 20/20 0.78
PPARG P37231 1/20 0.77
PPARD Q03181 1/20 0.77
PPARA Q07869 1/20 0.77
RXRA P19793 1/20 0.63

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
SCHEMBL4009722 0.93 NR1H2 (0.84) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4012610 0.90 NR1H2 (0.88) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL16557135 0.88 NR1H2 (0.80) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125425 0.88 NR1H2 (0.80) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4013026 0.88 NR1H2 (1.00) NR1H2NR1H3PPARG
SCHEMBL4012826 0.87 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125407 0.87 NR1H2 (0.76) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4267104 0.87 NR1H2 (0.84) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL30277838 0.87 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124477 0.87 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed