SCHEMBL3716458

SCHEMBL3716458

Cc1c(Cc2coc(S(=O)(=O)c3ccccc3)n2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.66
PTGIR P43119 1/20 0.61
PTGDR Q13258 1/20 0.61

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
SCHEMBL3724420 0.91 PTGDR2 (0.55) PTGDR2PTGIRPTGDR
SCHEMBL1466114 0.84 PTGDR2 (0.66) PTGDR2PTGIRPTGDR
SCHEMBL1466719 0.82 PTGDR2 (0.68) PTGDR2PTGIRPTGDR
SCHEMBL3716595 0.82 PTGDR2 (0.66) PTGDR2PTGIRPTGDR
SCHEMBL3716457 0.81 PTGDR2 (0.72) PTGDR2PTGIRPTGDR
SCHEMBL2269382 0.81 PTGDR2 (0.81) PTGDR2PTGIRPTGDR
SCHEMBL3716589 0.80 PTGDR2 (0.71) PTGDR2PTGIRPTGDR
SCHEMBL2269355 0.79 PTGDR2 (0.72) PTGDR2PTGIRPTGDR
SCHEMBL1466406 0.79 PTGDR2 (1.00) PTGDR2PTGIRPTGDR
SCHEMBL1465551 0.79 PTGDR2 (0.67) PTGDR2PTGIRPTGDR

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 2 patents. 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
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed