SCHEMBL534080

SCHEMBL534080

CCc1nc2c(F)ccc([O])c2c(OC(F)F)c1Cc1ccc(C(C)(C)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
TNKS O95271 5/20 0.39
PARP1 P09874 5/20 0.39
TNKS2 Q9H2K2 5/20 0.39
CNR2 P34972 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP3 Q9Y6F1 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
SCHEMBL534081 0.89 PTGDR2 (0.49) PTGDR2TNKSPARP1TNKS2CNR2
SCHEMBL534794 0.87 PTGDR2 (0.51) PTGDR2
SCHEMBL534920 0.84 PTGDR2 (0.49) PTGDR2PARP1
SCHEMBL19614973 0.80 PTGDR2 (0.44) PTGDR2
SCHEMBL534795 0.77 PTGDR2 (0.51) PTGDR2
SCHEMBL3667682 0.77 PTGDR2 (0.53) PTGDR2
SCHEMBL3666570 0.77 PTGDR2 (0.53) PTGDR2
SCHEMBL3664108 0.76 PTGDR2 (0.42) PTGDR2
SCHEMBL533914 0.74 PTGDR2 (0.59) PTGDR2
SCHEMBL534002 0.74 PTGDR2 (0.59) 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