SCHEMBL4019328

SCHEMBL4019328

COc1cccc2c(-c3cccc(Oc4cccc(S(C)(=O)=O)c4)c3)ccnc12

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.75
NR1H3 Q13133 16/20 0.75
RXRA P19793 1/20 0.72
GLO1 Q04760 1/20 0.44

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
SCHEMBL4011448 0.90 NR1H2 (0.62) NR1H2NR1H3RXRAGLO1
SCHEMBL4011085 0.89 NR1H2 (0.60) NR1H2NR1H3RXRAGLO1
SCHEMBL4013993 0.89 NR1H2 (0.68) NR1H2NR1H3RXRA
SCHEMBL4011474 0.89 NR1H2 (0.74) NR1H2NR1H3RXRAGLO1
SCHEMBL4011524 0.87 NR1H2 (0.78) NR1H2NR1H3RXRA
SCHEMBL4013620 0.87 NR1H2 (0.78) NR1H2NR1H3RXRA
SCHEMBL4018341 0.86 NR1H2 (0.77) NR1H2NR1H3RXRA
SCHEMBL4012874 0.86 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4010852 0.85 NR1H2 (0.56) NR1H2NR1H3RXRA
SCHEMBL4011491 0.85 NR1H2 (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 2 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