SCHEMBL10179853

SCHEMBL10179853

O=S(=O)(c1cccc(C2CCCCC2)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KMO O15229 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
DRD2 P14416 7/20 0.43
DRD3 P35462 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
PDK2 Q15119 1/20 0.39
HTR2C P28335 1/20 0.39
RORC P51449 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
SCHEMBL10181514 0.98 HDAC4 (0.49) HDAC4HDAC2HDAC8KMORXFP1
SCHEMBL10179899 0.85 DRD2 (0.43) HDAC4HDAC2HDAC8KMODRD2
SCHEMBL10180196 0.84 DRD2 (0.43) HDAC4HDAC2HDAC8KMODRD2
Trifluoromethanesulfonic Acid SCHEMBL28506753 0.82 HDAC4 (0.56) HDAC4HDAC2HDAC8KMODRD2
SCHEMBL10179611 0.82 KMO (0.53) HDAC4HDAC2HDAC8KMODRD2
SCHEMBL10179900 0.81 DRD2 (0.43) HDAC4HDAC2HDAC8KMODRD2
SCHEMBL10181265 0.80 LMNA (0.54) LMNAHTTMAPTXBP1SMN1; SMN2
SCHEMBL10181962 0.80 HDAC4 (0.51) HDAC4HDAC2HDAC8KMODRD2
SCHEMBL10180197 0.79 DRD2 (0.44) HDAC4HDAC2HDAC8KMODRD2
SCHEMBL10180278 0.79 DRD2 (0.61) HDAC4HDAC2HDAC8KMODRD2

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