SCHEMBL10179740

SCHEMBL10179740

CCC(C)c1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP9 P14780 5/20 0.51
MMP12 P39900 5/20 0.51
MMP8 P22894 4/20 0.51
MMP13 P45452 4/20 0.51
MMP14 P50281 4/20 0.51
MMP16 P51512 4/20 0.51
MMP1 P03956 2/20 0.51
TSHR P16473 2/20 0.47
MMP3 P08254 3/20 0.47
HTR6 P50406 5/20 0.46
HSD11B1 P28845 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
KCNH2 Q12809 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PSIP1 O75475 1/20 0.42
KMT2A Q03164 1/20 0.41
HTT P42858 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
SCHEMBL9962272 0.82 HSD11B1 (0.60) MMP2MMP9MMP12MMP8MMP13
SCHEMBL10180789 0.80 TSHR (0.52) TSHRSMN1; SMN2HTT
SCHEMBL10180449 0.80 TSHR (0.52) MMP2MMP9MMP12MMP8MMP13
SCHEMBL10180086 0.80 TSHR (0.44) MMP2MMP9MMP12MMP8MMP13
SCHEMBL28941489 0.79 HTR2A (0.64) MMP2MMP9MMP12MMP8MMP13
SCHEMBL6730274 0.79 TSHR (0.55) MMP2MMP9MMP12MMP8MMP13
SCHEMBL10181133 0.77 TSHR (0.49) TSHRHTR6SMN1; SMN2KMT2AHTT
SCHEMBL10042821 0.76 TSHR (0.47) TSHRHTT
SCHEMBL9228368 0.76 MMP2 (0.82) MMP2MMP9MMP12MMP8MMP13
SCHEMBL10179522 0.76 TSHR (0.43) MMP2MMP9MMP12MMP8MMP13

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