SCHEMBL10179973

SCHEMBL10179973

C=CCS(=O)(=O)c1ccccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35

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
SCHEMBL10179522 0.85 TSHR (0.43) ALDH1A1KDM4EHSD11B1L3MBTL1MEN1
SCHEMBL10179614 0.80 PSIP1 (0.45) HSD11B1L3MBTL1LMNAPOLBCA12
SCHEMBL9379437 0.77 HSD11B1 (0.54) HSD11B1L3MBTL1MEN1MAPTKMT2A
SCHEMBL10180394 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10180424 0.77 L3MBTL1 (0.42) ALDH1A1HSD11B1L3MBTL1MEN1MAPT
SCHEMBL707747 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL751681 0.77 L3MBTL1 (0.42) HSD11B1L3MBTL1MEN1MAPTKMT2A
SCHEMBL5412466 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHSD11B1L3MBTL1MEN1
SCHEMBL1204858 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1MEN1MAPT
SCHEMBL10180861 0.74 HSD11B1 (0.49) ALDH1A1HSD11B1L3MBTL1LMNAPOLB

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