SCHEMBL4013448

SCHEMBL4013448

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.80
NR1H3 Q13133 19/20 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
SCHEMBL4011255 0.95 NR1H2 (0.83) NR1H2NR1H3
SCHEMBL4013446 0.90 NR1H2 (0.81) NR1H2NR1H3
SCHEMBL4011615 0.90 NR1H3 (0.90) NR1H2NR1H3
SCHEMBL4012207 0.89 NR1H2 (0.87) NR1H2NR1H3
SCHEMBL4009503 0.89 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4013091 0.88 NR1H2 (0.95) NR1H2NR1H3
SCHEMBL4012430 0.88 NR1H3 (1.00) NR1H2NR1H3
SCHEMBL4013852 0.88 NR1H2 (0.93) NR1H2NR1H3
SCHEMBL4012051 0.88 NR1H3 (0.84) NR1H2NR1H3
SCHEMBL4011040 0.88 NR1H3 (1.00) 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