SCHEMBL534858

SCHEMBL534858

CCc1nc2c(Cl)ccc(O)c2c(OC(F)F)c1Cc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
CYP19A1 P11511 2/20 0.32
CYP2A6 P11509 1/20 0.32
AR P10275 2/20 0.31

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
SCHEMBL534921 0.89 PTGDR2 (0.49) PTGDR2CYP19A1CYP2A6AR
SCHEMBL534857 0.89 PTGDR2 (0.39) PTGDR2CYP2A6AR
SCHEMBL534010 0.88 PTGDR2 (0.32) PTGDR2CYP19A1
SCHEMBL534813 0.84 PTGDR2 (0.58) PTGDR2
SCHEMBL534686 0.83 PTGDR2 (0.49) PTGDR2
SCHEMBL533987 0.81 AR (0.36) CYP19A1AR
SCHEMBL534920 0.78 PTGDR2 (0.49) PTGDR2CYP2A6AR
SCHEMBL19614973 0.77 PTGDR2 (0.44) PTGDR2
SCHEMBL534009 0.77 PTGDR2 (0.32) PTGDR2
SCHEMBL534795 0.76 PTGDR2 (0.51) 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