SCHEMBL10179848

SCHEMBL10179848

C=CCS(=O)(=O)c1ccc(C(C)CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PNMT P11086 1/20 0.38
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSK P43235 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL10181443 0.84 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EPNMT
SCHEMBL10180446 0.83 HDAC4 (0.45) MEN1KMT2AALDH1A1KDM4EPNMT
SCHEMBL10179790 0.82 PSIP1 (0.50) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL10179968 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL11325969 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL25678903 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL1204934 0.75 CA2 (0.52) MEN1KMT2AALDH1A1KDM4EPNMT
SCHEMBL10178756 0.75 PSIP1 (0.52) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL10180256 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EPNMT
SCHEMBL10181221 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EPNMT

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