SCHEMBL27799170

SCHEMBL27799170

CC(=O)OC(C)n1c(C)c(Cc2cccnc2S(=O)(=O)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.68
PTGDR Q13258 3/20 0.43
PLA2G4A P47712 1/20 0.41

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
SCHEMBL27799169 0.82 PTGDR2 (0.76) PTGDR2PTGDR
SCHEMBL1466910 0.81 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL1467546 0.80 PTGDR2 (0.84) PTGDR2PTGDR
SCHEMBL1599841 0.79 PTGDR2 (0.82) PTGDR2PTGDR
SCHEMBL1598755 0.78 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL12580666 0.78 PTGDR2 (0.77) PTGDR2PTGDR
SCHEMBL1599386 0.75 PTGDR2 (0.81) PTGDR2PTGDR
SCHEMBL1466225 0.75 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL19506935 0.74 PTGDR2 (0.77) PTGDR2
SCHEMBL1467394 0.74 PTGDR2 (0.85) PTGDR2PTGDR

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
CN-101932571-A Compounds having crth2 antagonist activity OXAGEN LTD 2010-12-29 CN disclosed