SCHEMBL10180799

SCHEMBL10180799

CS(=O)(=O)Oc1ccccc1C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
PTGS2 P35354 1/20 0.48
DRD1 P21728 2/20 0.45
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
HTR2C P28335 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR6 P50406 4/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
MCOLN2 Q8IZK6 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41
HTR1A P08908 2/20 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
SCHEMBL9957566 0.98 PTGDR2 (0.51) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL10181730 0.83 PTGDR2 (0.50) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL9957798 0.82 PTGDR2 (0.52) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL14015370 0.81 PTGDR2 (0.55) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL10179914 0.80 HTR6 (0.59) PTGDR2DRD1DRD3DRD2DRD4
SCHEMBL10179803 0.80 DRD2 (0.49) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL29866202 0.80 DRD2 (0.36) PTGDR2DRD1DRD3DRD2DRD4
SCHEMBL10181573 0.79 HTR6 (0.58) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL10180189 0.79 PTGDR2 (0.46) PTGDR2PTGS2DRD1DRD3DRD2
SCHEMBL4096013 0.79 DRD2 (0.64) PTGDR2PTGS2DRD1DRD3DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed