SCHEMBL4010727

SCHEMBL4010727

Cc1cc(-c2cccc(OCc3cccc(S(C)(=O)=O)c3)c2)c2cccc(C(F)(F)F)c2n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 19/20 0.58
NR1H2 P55055 19/20 0.58
RXRA P19793 1/20 0.58

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
SCHEMBL4012011 0.87 NR1H3 (0.47) NR1H3NR1H2RXRA
SCHEMBL4012797 0.87 NR1H3 (0.77) NR1H3NR1H2RXRA
SCHEMBL4014198 0.86 NR1H3 (0.47) NR1H3NR1H2RXRA
SCHEMBL4011954 0.86 NR1H2 (0.73) NR1H3NR1H2RXRA
SCHEMBL4017313 0.83 NR1H2 (0.70) NR1H3NR1H2RXRA
SCHEMBL4013859 0.81 NR1H2 (0.78) NR1H3NR1H2
SCHEMBL3508932 0.81 NR1H3 (0.56) NR1H3NR1H2RXRA
SCHEMBL4011974 0.79 NR1H2 (0.66) NR1H3NR1H2RXRA
SCHEMBL4013511 0.79 NR1H2 (0.67) NR1H3NR1H2RXRA
SCHEMBL4013564 0.78 NR1H2 (0.72) NR1H3NR1H2RXRA

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