SCHEMBL10180446

SCHEMBL10180446

C=CCS(=O)(=O)c1cccc(C(C)CC)c1

nearest known ligand 0.45

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
PNMT P11086 1/20 0.39
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.35
PSIP1 O75475 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
HSD11B1 P28845 1/20 0.33
CCR5 P51681 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL10180220 0.88 PNMT (0.40) HDAC4HDAC2HDAC8PNMTALDH1A1
SCHEMBL10179856 0.84 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL10179848 0.83 MEN1 (0.43) HDAC4HDAC2HDAC8PNMTALDH1A1
SCHEMBL10181228 0.81 HDAC4 (0.47) HDAC4HDAC2HDAC8ALDH1A1CA2
SCHEMBL23731660 0.79 HDAC4 (0.59) HDAC4HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL10180313 0.77 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1CA2
SCHEMBL10180811 0.77 HDAC4 (0.46) HDAC4HDAC2HDAC8PNMTALDH1A1
SCHEMBL10180741 0.76 PNMT (0.41) PNMTALDH1A1KDM4EPSIP1MAPT
SCHEMBL10180485 0.76 HDAC4 (0.45) HDAC4HDAC2HDAC8ALDH1A1PSIP1
SCHEMBL10180310 0.76 PNMT (0.39) PNMTALDH1A1KDM4ECA2MAPT

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