SCHEMBL9813830

SCHEMBL9813830

O=C(O)COc1ccccc1CCCCS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 1/20 0.44
MAPT P10636 1/20 0.44
HSD11B1 P28845 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9813783 0.96 PTGDR2 (0.51) PTGDR2L3MBTL1MAPTHSD11B1GAA
SCHEMBL9813771 0.91 PTGDR2 (0.51) PTGDR2L3MBTL1MAPTHSD11B1GAA
SCHEMBL24079456 0.84 PTGDR2 (0.52) PTGDR2L3MBTL1MAPT
SCHEMBL10583050 0.82 HSD11B1 (0.49) HSD11B1GAAHTT
SCHEMBL9813770 0.79 PTGIR (0.54) GAAHTT
SCHEMBL9836406 0.79 TBXA2R (0.55) PTGDR2MAPTGAA
SCHEMBL9074110 0.78 HSD11B1 (0.50) HSD11B1GAAHTT
SCHEMBL9813750 0.78 PPARA (0.59) PTGDR2MGLL
SCHEMBL9768486 0.75 PTGIR (0.55) GAAHTT
SCHEMBL9813812 0.74 PPARA (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301421-B1 SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1991-08-28 EP disclosed
EP-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 EP disclosed