SCHEMBL10182052

SCHEMBL10182052

CCCS(=O)(=O)Oc1cccc(C2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.54
DRD3 P35462 6/20 0.54
DRD1 P21728 3/20 0.51
DRD4 P21917 3/20 0.51
DRD5 P21918 3/20 0.51
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48
ENPP2 Q13822 1/20 0.48
KMO O15229 1/20 0.41
HTR2C P28335 1/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
PPARG P37231 2/20 0.40
SIGMAR1 Q99720 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
SCHEMBL10180896 0.99 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180182 0.90 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180704 0.89 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10181453 0.83 ENPP3 (0.59) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10181423 0.81 ENPP3 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9956924 0.81 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180414 0.80 DRD2 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180006 0.80 DRD2 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180119 0.80 KMT2A (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10180417 0.80 DRD2 (0.64) 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