SCHEMBL10182018

SCHEMBL10182018

O=S(=O)(Oc1ccccc1C1CCCCC1)C(F)(F)CF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.52
DRD2 P14416 8/20 0.52
DRD4 P21917 7/20 0.52
DRD1 P21728 6/20 0.52
DRD5 P21918 5/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.47
PTGS2 P35354 1/20 0.40
HTR1A P08908 3/20 0.38
HTR7 P34969 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA2A P08913 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL12004481 0.99 DRD3 (0.53) DRD3DRD2DRD4DRD1DRD5
SCHEMBL9956909 0.86 DRD2 (0.62) DRD3DRD2DRD4DRD1DRD5
SCHEMBL4096013 0.84 DRD2 (0.64) DRD3DRD2DRD4DRD1DRD5
SCHEMBL9957595 0.80 PTGDR2 (0.48) DRD3DRD2DRD4DRD1DRD5
SCHEMBL22444937 0.78 DRD2 (0.60) DRD3DRD2DRD4DRD1DRD5
SCHEMBL12004482 0.78 DRD1 (0.48) DRD3DRD2DRD4DRD1DRD5
SCHEMBL10180450 0.76 PTGS2 (0.43) DRD3DRD2DRD4DRD1DRD5
SCHEMBL10179906 0.76 DRD2 (0.49) DRD3DRD2DRD4DRD1DRD5
SCHEMBL9957798 0.76 PTGDR2 (0.52) DRD3DRD2DRD4DRD1DRD5
SCHEMBL9957566 0.75 PTGDR2 (0.51) DRD3DRD2DRD4DRD1DRD5

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