SCHEMBL10179639

SCHEMBL10179639

O=S(=O)(Cc1ccccc1)Oc1ccccc1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HTR1A P08908 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 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
SCHEMBL10180312 0.99 KMT2A (0.50) PTGDR2KMT2AHPGDUSP2HSD17B10
SCHEMBL9957798 0.84 PTGDR2 (0.52) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL10181730 0.82 PTGDR2 (0.50) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL10180764 0.80 PTGDR2 (0.49) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL10179995 0.79 PTGDR2 (0.48) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL9957595 0.79 PTGDR2 (0.48) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL10179803 0.78 DRD2 (0.49) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL10181573 0.78 HTR6 (0.58) PTGDR2DRD2DRD1DRD4DRD5
SCHEMBL14015370 0.77 PTGDR2 (0.55) PTGDR2KMT2AUSP2DRD2DRD1
SCHEMBL9957566 0.77 PTGDR2 (0.51) PTGDR2KMT2AUSP2DRD2DRD1

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