SCHEMBL10180449

SCHEMBL10180449

CCC(C)c1ccccc1S(=O)(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
PSIP1 O75475 1/20 0.42
RORC P51449 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.34
PLCG1 P19174 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MMP16 P51512 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GABRA1 P14867 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
SCHEMBL10180789 0.85 TSHR (0.52) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL10180084 0.84 TSHR (0.44) TSHRPSIP1RORCHDAC4HDAC2
SCHEMBL10181133 0.84 TSHR (0.49) TSHRSMN1; SMN2KDM4E
SCHEMBL10179614 0.84 PSIP1 (0.45) TSHRPSIP1PLCG1L3MBTL1MMP1
SCHEMBL10179522 0.83 TSHR (0.43) TSHRPSIP1RORCCASP1L3MBTL1
SCHEMBL6730274 0.83 TSHR (0.55) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL4598967 0.81 PSIP1 (0.42) TSHRPSIP1PLCG1L3MBTL1
SCHEMBL10179740 0.80 MMP2 (0.51) TSHRPSIP1SMN1; SMN2MMP1MMP2
SCHEMBL10042821 0.80 TSHR (0.47) TSHRRORCCASP1L3MBTL1KDM4E
SCHEMBL10180918 0.79 TSHR (0.50) TSHRRORCHDAC4HDAC2HDAC8

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