SCHEMBL3717549

SCHEMBL3717549

COC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)Nc2cccc(C#N)c2)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.53
SLC22A12 Q96S37 1/20 0.41
MCL1 Q07820 1/20 0.40
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39

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
SCHEMBL3717861 0.92 PTGDR2 (0.64) PTGDR2PTGIRPTGDR
SCHEMBL1467815 0.90 PTGDR2 (0.63) PTGDR2PTGIRPTGDR
SCHEMBL1467758 0.83 PTGDR2 (0.59) PTGDR2PTGIRPTGDR
SCHEMBL1466770 0.82 PTGDR2 (0.67) PTGDR2PTGIRPTGDR
SCHEMBL1466629 0.82 PTGDR2 (0.65) PTGDR2PTGIRPTGDR
SCHEMBL1465961 0.82 PTGDR2 (0.75) PTGDR2PTGIRPTGDR
SCHEMBL3718015 0.81 PTGDR2 (0.56) PTGDR2PTGIRPTGDR
SCHEMBL1466461 0.81 PTGDR2 (0.65) PTGDR2PTGIRPTGDR
SCHEMBL1465500 0.80 PTGDR2 (0.59) PTGDR2PTGIRPTGDR
SCHEMBL1465975 0.79 PTGDR2 (0.82) 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
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed