SCHEMBL4017704

SCHEMBL4017704

CC(C)S(=O)(=O)c1ccc(Oc2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.87
NR1H3 Q13133 20/20 0.87
RXRA P19793 1/20 0.72

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
SCHEMBL4014663 0.93 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4012467 0.89 NR1H2 (0.86) NR1H2NR1H3RXRA
SCHEMBL4013937 0.88 NR1H2 (0.74) NR1H2NR1H3RXRA
SCHEMBL4013275 0.88 NR1H2 (0.70) NR1H2NR1H3RXRA
SCHEMBL4012481 0.87 NR1H2 (0.67) NR1H2NR1H3RXRA
SCHEMBL4012707 0.87 NR1H2 (0.67) NR1H2NR1H3RXRA
SCHEMBL4009726 0.87 NR1H2 (0.73) NR1H2NR1H3RXRA
SCHEMBL4015359 0.87 NR1H2 (0.66) NR1H2NR1H3RXRA
SCHEMBL4015299 0.86 NR1H2 (0.68) NR1H2NR1H3RXRA
SCHEMBL4014600 0.85 NR1H3 (0.64) 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