SCHEMBL10179837

SCHEMBL10179837

Cc1ccc(S(=O)(=O)Oc2cccc(C3CCCC3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.69
DRD3 P35462 3/20 0.69
DRD1 P21728 2/20 0.69
DRD4 P21917 2/20 0.69
DRD5 P21918 2/20 0.69
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.48
ENPP3 O14638 2/20 0.48
ENPP1 P22413 2/20 0.48
ENPP2 Q13822 2/20 0.48
HPGD P15428 1/20 0.48
HTR6 P50406 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL10180537 0.99 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10179809 0.87 ALDH1A1 (0.59) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180590 0.86 ALDH1A1 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10181538 0.83 ENPP3 (0.59) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9958363 0.82 ENPP3 (0.60) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180417 0.80 DRD2 (0.64) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9956924 0.79 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4138555 0.78 HTT (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180704 0.77 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180896 0.77 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5

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