SCHEMBL10179622

SCHEMBL10179622

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
SIGMAR1 Q99720 1/20 0.52
DRD3 P35462 3/20 0.52
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PSIP1 O75475 1/20 0.46
KMO O15229 1/20 0.45
CNR2 P34972 2/20 0.44
RORC P51449 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL10179579 0.98 DRD2 (0.53) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL10181371 0.83 DRD2 (0.62) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL10181962 0.82 HDAC4 (0.51) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL10180197 0.81 DRD2 (0.44) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL10180455 0.81 DRD2 (0.44) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL10180357 0.81 DRD2 (0.52) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL10180278 0.81 DRD2 (0.61) DRD2SIGMAR1DRD3HDAC4HDAC2
SCHEMBL2925319 0.81 DRD3 (0.82) DRD2SIGMAR1DRD3
SCHEMBL1009681 0.81 DRD3 (0.82) DRD2SIGMAR1DRD3
SCHEMBL10179611 0.81 KMO (0.53) DRD2SIGMAR1DRD3HDAC4HDAC2

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