SCHEMBL4014600

SCHEMBL4014600

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 15/20 0.64
NR1H2 P55055 14/20 0.64
RXRA P19793 1/20 0.56
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GLO1 Q04760 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GCK P35557 1/20 0.37
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL4013573 0.93 NR1H2 (0.74) NR1H3NR1H2RXRA
SCHEMBL4012527 0.91 NR1H3 (0.67) NR1H3NR1H2RXRAPDE4APDE4B
SCHEMBL4016991 0.87 NR1H3 (0.59) NR1H3NR1H2RXRAPDE4APDE4B
SCHEMBL4011524 0.85 NR1H2 (0.78) NR1H3NR1H2RXRA
SCHEMBL4017704 0.85 NR1H2 (0.87) NR1H3NR1H2RXRA
SCHEMBL4012318 0.84 NR1H3 (0.56) NR1H3NR1H2RXRAPDE4APDE4B
SCHEMBL4018162 0.82 NR1H2 (0.66) NR1H3NR1H2RXRA
SCHEMBL4013247 0.82 NR1H2 (0.56) NR1H3NR1H2RXRAPTGDR2
SCHEMBL4009472 0.82 NR1H2 (0.58) NR1H3NR1H2RXRAPTGDR2
SCHEMBL4020012 0.81 NR1H2 (0.76) NR1H3NR1H2RXRAGLO1

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