SCHEMBL10179564

SCHEMBL10179564

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.40
PTPN5 P54829 2/20 0.39
NR1I2 O75469 2/20 0.39
CYP3A4 P08684 4/20 0.39
CA2 P00918 3/20 0.39
CYP2C19 P33261 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 0.39
CA1 P00915 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CA5A P35218 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10180811 0.87 HDAC4 (0.46) NR1I2CYP3A4CA2CYP2C19HDAC4
SCHEMBL9303097 0.84 PNMT (0.44) NR1I2CYP3A4CA2CYP2C19ALDH1A1
SCHEMBL10179501 0.82 PSIP1 (0.52) KAT6ACYP3A4CA2HDAC4HDAC8
SCHEMBL10176301 0.79 CA2 (0.44) KAT6APTPN5CYP3A4CA2HDAC4
SCHEMBL17618327 0.79 KAT6A (0.41) KAT6ACYP3A4CA2HDAC4HDAC8
SCHEMBL12005156 0.79 ALDH1A1 (0.43) PTPN5CA2HDAC4HDAC8ALDH1A1
SCHEMBL21470932 0.78 KAT6A (0.40) KAT6ACYP3A4CA2CYP2C19HDAC4
SCHEMBL10179562 0.78 KAT6A (0.38) KAT6APTPN5CYP3A4CA2HDAC4
SCHEMBL10180467 0.78 HTR2A (0.41) CYP3A4CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL776129 0.77 MEN1 (0.42) KAT6ACYP3A4CA2CYP2C19CA1

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