SCHEMBL10179646

SCHEMBL10179646

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HRH4 Q9H3N8 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39
RXFP1 Q9HBX9 7/20 0.38
HTR2A P28223 1/20 0.38
TSPO P30536 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
ESPL1 Q14674 1/20 0.38
EPAS1 Q99814 2/20 0.37
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL25643650 0.88 SMN1; SMN2 (0.42) HDAC4HDAC2HDAC8LMNAALDH1A1
SCHEMBL10180810 0.86 HDAC4 (0.44) HDAC4HDAC2HDAC8ALDH1A1SMN1; SMN2
SCHEMBL13064398 0.85 HDAC4 (0.49) HDAC4HDAC2HDAC8LMNAALDH1A1
SCHEMBL10176301 0.85 CA2 (0.44) HDAC4HDAC2HDAC8LMNAALDH1A1
SCHEMBL10180811 0.83 HDAC4 (0.46) HDAC4HDAC2HDAC8ALDH1A1CA2
SCHEMBL841819 0.82 ALDH1A1 (0.46) LMNAALDH1A1HRH4CA2RXFP1
SCHEMBL10181243 0.81 PTPRZ1 (0.44) HDAC4HDAC2HDAC8LMNAALDH1A1
SCHEMBL23731660 0.81 HDAC4 (0.59) HDAC4HDAC2HDAC8LMNAALDH1A1
SCHEMBL10179856 0.80 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1SMN1; SMN2
SCHEMBL10180313 0.80 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1CA2

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