SCHEMBL10179522

SCHEMBL10179522

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
MMP16 P51512 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 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
SCHEMBL10179973 0.85 ALDH1A1 (0.45) TSHRALDH1A1KDM4EMEN1LMNA
SCHEMBL10180449 0.83 TSHR (0.52) TSHRKDM4EL3MBTL1CASP1MMP1
SCHEMBL10180174 0.81 TSHR (0.46) TSHRKDM4EL3MBTL1CASP1HTR2A
SCHEMBL10180789 0.76 TSHR (0.52) TSHRALDH1A1LMNAHTTL3MBTL1
SCHEMBL10180084 0.76 TSHR (0.44) TSHRKDM4EL3MBTL1CASP1HTR2A
SCHEMBL10181133 0.76 TSHR (0.49) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL10179740 0.76 MMP2 (0.51) TSHRHTTKMT2AMMP1MMP2
SCHEMBL5412466 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL6730274 0.75 TSHR (0.55) TSHRALDH1A1CASP1MMP1MMP2
SCHEMBL10180086 0.73 TSHR (0.44) TSHRCASP1MMP1MMP2MMP9

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