SCHEMBL534041

SCHEMBL534041

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
NR1H3 Q13133 5/20 0.37
NR1H2 P55055 4/20 0.37
PI4KB Q9UBF8 4/20 0.35
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 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ADRA1D P25100 1/20 0.31
GRM2 Q14416 1/20 0.31
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
SCHEMBL534040 0.90 PTGDR2 (0.45) PTGDR2NR1H3NR1H2PI4KBPDE4A
SCHEMBL534029 0.86 PTGDR2 (0.64) PTGDR2NR1H3NR1H2PDE4APDE4B
SCHEMBL534097 0.84 PTGDR2 (0.55) PTGDR2NR1H3NR1H2PI4KBPDE4A
SCHEMBL534795 0.79 PTGDR2 (0.51) PTGDR2
SCHEMBL534081 0.78 PTGDR2 (0.49) PTGDR2PARP1
SCHEMBL534007 0.76 PTGDR2 (0.50) PTGDR2DHFR
SCHEMBL3773874 0.75 PTGDR2 (0.70) PTGDR2
SCHEMBL533907 0.73 PTGS2 (0.38) PTGDR2
SCHEMBL3784679 0.71 PTGDR2 (0.57) PTGDR2
SCHEMBL14236239 0.71 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