SCHEMBL4010065

SCHEMBL4010065

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.80
NR1H3 Q13133 20/20 0.80

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
SCHEMBL4010866 0.94 NR1H2 (0.79) NR1H2NR1H3
SCHEMBL4012430 0.89 NR1H3 (1.00) NR1H2NR1H3
SCHEMBL4013411 0.88 NR1H2 (0.80) NR1H2NR1H3
SCHEMBL4012112 0.88 NR1H2 (0.80) NR1H2NR1H3
SCHEMBL4013366 0.87 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL4017876 0.87 NR1H2 (0.82) NR1H2NR1H3
SCHEMBL4011068 0.86 NR1H2 (0.79) NR1H2NR1H3
SCHEMBL4012379 0.86 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL4011803 0.85 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4010889 0.84 NR1H2 (0.81) NR1H2NR1H3

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