SCHEMBL10179977

SCHEMBL10179977

CS(=O)(=O)Oc1ccc(C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.51
ENPP1 P22413 1/20 0.51
MMP2 P08253 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP14 P50281 2/20 0.44
MMP1 P03956 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
THRB P10828 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL9608741 0.98 ENPP3 (0.54) ENPP3ENPP1MMP2MMP7MMP9
SCHEMBL4735791 0.84 SLC18A3 (0.47) ENPP3ENPP1MMP2MMP7MMP9
SCHEMBL10179695 0.82 ENPP3 (0.54) ENPP3ENPP1MMP2MMP7MMP9
SCHEMBL25316484 0.82 HTT (0.43) ENPP3ENPP1MMP2MMP7MMP9
SCHEMBL9957803 0.81 ENPP3 (0.56) ENPP3ENPP1MMP2MMP7MMP9
SCHEMBL107194 0.80 LMNA (0.46) DRD2DRD3THRBDRD1DRD4
SCHEMBL10180417 0.80 DRD2 (0.64) ENPP3ENPP1DRD2DRD3DRD1
SCHEMBL3128608 0.79 DRD2 (0.61) DRD2DRD3THRBDRD1DRD4
SCHEMBL10181423 0.78 ENPP3 (0.56) ENPP3ENPP1MMP2MMP7MMP9
SCHEMBL15726684 0.78 DRD2 (0.51) DRD2DRD3THRBDRD1DRD4

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