SCHEMBL4010862

SCHEMBL4010862

CCS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.48
NR1H3 Q13133 18/20 0.48
RXRA P19793 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL4018729 0.93 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012903 0.91 NR1H2 (0.44) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012778 0.90 NR1H2 (0.56) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4014203 0.88 NR1H2 (0.44) NR1H2NR1H3RXRAPTGDR2
SCHEMBL27787059 0.85 NR1H2 (0.42) NR1H2NR1H3RXRAFFAR1FFAR4
SCHEMBL4011996 0.84 NR1H2 (0.66) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4010387 0.83 NR1H2 (0.48) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4017675 0.83 NR1H2 (0.50) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4009417 0.82 NR1H2 (0.62) NR1H2NR1H3RXRA
SCHEMBL4013490 0.82 NR1H2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed