SCHEMBL4010889

SCHEMBL4010889

CCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.81
NR1H3 Q13133 20/20 0.81
PPARG P37231 1/20 0.66

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
SCHEMBL4018643 0.94 NR1H2 (0.75) NR1H2NR1H3PPARG
SCHEMBL4011428 0.94 NR1H2 (0.85) NR1H2NR1H3PPARG
SCHEMBL4018299 0.92 NR1H2 (0.84) NR1H2NR1H3PPARG
SCHEMBL4012951 0.91 NR1H2 (0.78) NR1H2NR1H3PPARG
SCHEMBL4018005 0.91 NR1H2 (0.78) NR1H2NR1H3PPARG
SCHEMBL4012152 0.91 NR1H2 (0.80) NR1H2NR1H3PPARG
SCHEMBL4018117 0.90 NR1H2 (0.77) NR1H2NR1H3PPARG
SCHEMBL4012355 0.90 NR1H2 (0.77) NR1H2NR1H3PPARG
SCHEMBL4013026 0.90 NR1H2 (1.00) NR1H2NR1H3PPARG
SCHEMBL4009733 0.90 NR1H2 (0.78) NR1H2NR1H3PPARG

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