SCHEMBL10180485

SCHEMBL10180485

CCC(C)c1cccc(S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
PSIP1 O75475 1/20 0.42
HTR6 P50406 2/20 0.40
DAO P14920 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD11B1 P28845 1/20 0.40
CCR5 P51681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL10180842 0.88 TSHR (0.45) TSHRHSD17B10MAPTPSIP1HTR6
SCHEMBL10181449 0.84 TSHR (0.53) TSHRHSD17B10MAPTPSIP1ALDH1A1
SCHEMBL10179856 0.84 HDAC4 (0.53) HDAC4HDAC2HDAC8HSD17B10MAPT
SCHEMBL10192332 0.81 HDAC4 (0.54) HDAC4HDAC2HDAC8TSHRMAPT
SCHEMBL10181269 0.79 LOXL2 (0.49) TSHRHSD17B10MAPTPSIP1HTR6
SCHEMBL23731660 0.79 HDAC4 (0.59) HDAC4HDAC2HDAC8TSHRHSD17B10
SCHEMBL10180846 0.78 TSHR (0.45) TSHRHSD17B10MAPTPSIP1HTR6
SCHEMBL10180313 0.77 HDAC4 (0.53) HDAC4HDAC2HDAC8HSD17B10ALDH1A1
SCHEMBL10180811 0.77 HDAC4 (0.46) HDAC4HDAC2HDAC8HSD17B10MAPT
SCHEMBL10180777 0.76 KAT6A (0.50) TSHRHSD17B10MAPTPSIP1HTR6

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