SCHEMBL10180455

SCHEMBL10180455

C=CCS(=O)(=O)c1cccc(C2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
DRD3 P35462 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KMO O15229 1/20 0.41
PNMT P11086 1/20 0.41
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MCOLN2 Q8IZK6 1/20 0.33

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
SCHEMBL10179665 0.99 DRD2 (0.43) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10179622 0.81 DRD2 (0.54) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10179835 0.81 LMNA (0.47) HDAC8PNMTLMNAHTTMAPT
SCHEMBL10180831 0.80 KMO (0.47) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10181003 0.80 LMNA (0.50) PNMTLMNAHTTMAPTXBP1
SCHEMBL10179579 0.80 DRD2 (0.53) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10180294 0.79 KMO (0.50) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10181962 0.77 HDAC4 (0.51) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10180357 0.77 DRD2 (0.52) DRD2DRD3SIGMAR1HDAC4HDAC2
SCHEMBL10180197 0.77 DRD2 (0.44) DRD2DRD3SIGMAR1HDAC4HDAC2

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