SCHEMBL534040

SCHEMBL534040

CCc1nc2c(F)ccc([O])c2c(OC(F)F)c1Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
NR1H3 Q13133 5/20 0.37
NR1H2 P55055 4/20 0.37
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PARP1 P09874 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PI4KB Q9UBF8 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL534041 0.90 PTGDR2 (0.46) PTGDR2NR1H3NR1H2PDE4APDE4B
SCHEMBL534029 0.85 PTGDR2 (0.64) PTGDR2NR1H3NR1H2PDE4APDE4B
SCHEMBL534097 0.84 PTGDR2 (0.55) PTGDR2NR1H3NR1H2PDE4APDE4B
SCHEMBL534794 0.80 PTGDR2 (0.51) PTGDR2
SCHEMBL534080 0.77 PTGDR2 (0.51) PTGDR2PARP1
SCHEMBL534920 0.77 PTGDR2 (0.49) PTGDR2PARP1
SCHEMBL3773874 0.74 PTGDR2 (0.70) PTGDR2
SCHEMBL19614973 0.73 PTGDR2 (0.44) PTGDR2DHFR
SCHEMBL533968 0.72 PTGS2 (0.38) PTGDR2
SCHEMBL14236239 0.70 PTGDR2 (0.57) PTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed