SCHEMBL533968

SCHEMBL533968

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.38
PTGS1 P23219 3/20 0.38
CHRM4 P08173 2/20 0.36
GHSR Q92847 10/20 0.35
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL533907 0.88 PTGS2 (0.38) PTGS2PTGS1CHRM4GHSRPTGDR2
SCHEMBL534931 0.83 CHRM4 (0.38) PTGS2PTGS1CHRM4GHSRPTGDR2
SCHEMBL534013 0.81 PTGDR2 (0.53) PTGDR2
SCHEMBL534018 0.80 PTGDR2 (0.44) CHRM4GHSRPTGDR2
SCHEMBL534036 0.73 CHRM4 (0.38) PTGS2PTGS1CHRM4PTGDR2
SCHEMBL534040 0.72 PTGDR2 (0.45) PTGDR2
SCHEMBL3773874 0.70 PTGDR2 (0.70) PTGDR2
SCHEMBL534794 0.69 PTGDR2 (0.51) PTGDR2
SCHEMBL3779349 0.69 PTGDR2 (0.59) PTGS2GHSRPTGDR2
SCHEMBL534778 0.68 PTGDR2 (0.48) CHRM4PTGDR2

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