SCHEMBL10180414

SCHEMBL10180414

O=S(=O)(CC(F)(F)F)Oc1cccc(C2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
DRD1 P21728 3/20 0.50
DRD4 P21917 3/20 0.50
DRD5 P21918 3/20 0.50
KMO O15229 1/20 0.40
GRM2 Q14416 3/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
CETP P11597 1/20 0.37
HTR2C P28335 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36

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
SCHEMBL10181781 0.99 DRD2 (0.51) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180182 0.83 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9957602 0.83 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180668 0.83 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180704 0.82 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180532 0.82 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180323 0.82 DRD2 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180410 0.82 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10182052 0.80 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10181779 0.80 DRD2 (0.54) 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