SCHEMBL4011896

SCHEMBL4011896

COCCNCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.73
NR1H3 Q13133 19/20 0.73
RXRA P19793 1/20 0.56

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
SCHEMBL4013087 0.92 NR1H2 (0.78) NR1H2NR1H3RXRA
SCHEMBL4011559 0.92 NR1H2 (0.75) NR1H2NR1H3RXRA
SCHEMBL4014676 0.90 NR1H2 (0.77) NR1H2NR1H3RXRA
SCHEMBL4179145 0.89 NR1H2 (0.71) NR1H2NR1H3RXRA
SCHEMBL4012491 0.88 NR1H2 (0.80) NR1H2NR1H3RXRA
SCHEMBL4011504 0.88 NR1H2 (0.74) NR1H2NR1H3RXRA
SCHEMBL4014612 0.87 NR1H2 (0.73) NR1H2NR1H3RXRA
SCHEMBL4013451 0.86 NR1H2 (0.72) NR1H2NR1H3RXRA
SCHEMBL4013253 0.86 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL4016904 0.85 NR1H2 (0.84) NR1H2NR1H3RXRA

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