SCHEMBL10179641

SCHEMBL10179641

O=S(=O)(Cc1ccccc1)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HTT P42858 2/20 0.54
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CNR2 P34972 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
CASP1 P29466 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 2/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
ENPP2 Q13822 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
SCHEMBL10179471 0.99 KMT2A (0.63) KMT2AHTTHPGDHSD17B10USP2
SCHEMBL10180119 0.85 KMT2A (0.56) KMT2AHTTHPGDHSD17B10USP2
SCHEMBL10181259 0.83 KMT2A (0.58) KMT2AHTTHPGDHSD17B10USP2
SCHEMBL9957803 0.80 ENPP3 (0.56) HTTHRH3DRD2DRD1DRD4
SCHEMBL10179695 0.79 ENPP3 (0.54) HTTHRH3DRD2DRD1DRD4
SCHEMBL10179877 0.78 ENPP3 (0.58) HTTHSD17B10LMNAENPP3ENPP1
SCHEMBL10179715 0.78 HSD17B10 (0.51) KMT2AHTTHPGDHSD17B10USP2
Phenyl Phenylmethanesulfonate SCHEMBL6912876 0.78 KMT2A (1.00) KMT2AHTTHPGDLMNATSHR
SCHEMBL16395235 0.78 FKBP1A (0.43) HPGDHSD17B10USP2HRH3
SCHEMBL10179639 0.77 PTGDR2 (0.52) KMT2AHTTHPGDHSD17B10USP2

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