SCHEMBL3376833

SCHEMBL3376833

Cc1c(O)ccc(S(=O)(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.46
HSD17B10 Q99714 2/20 0.42
COMT P21964 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MYC P01106 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
LDHA P00338 1/20 0.36
MPL P40238 1/20 0.36

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
SCHEMBL10589831 0.88 MEN1 (0.44) HSD17B10COMTLMNAHPGDHIF1A
Octane SCHEMBL28869469 0.87 TYR (0.47) RPS6KA3HSD17B10COMTLMNAHPGD
SCHEMBL11764666 0.84 RPS6KA3 (0.41) RPS6KA3HSD17B10COMTLMNAHPGD
SCHEMBL8517228 0.84 NQO1 (0.41) RPS6KA3HSD17B10COMTLMNAHPGD
SCHEMBL30922178 0.84 RPS6KA3 (0.41) RPS6KA3HSD17B10COMTLMNAHPGD
SCHEMBL9340571 0.84 GAA (0.42) RPS6KA3COMTALDH1A1GAAHTT
SCHEMBL29599468 0.84 GAA (0.42) RPS6KA3COMTALDH1A1GAAHTT
SCHEMBL5155634 0.84 GAA (0.42) RPS6KA3COMTALDH1A1GAAHTT
SCHEMBL17272109 0.83 RPS6KA3 (0.40) RPS6KA3HSD17B10COMTLMNAHPGD
SCHEMBL8369083 0.83 LMNA (0.40) RPS6KA3HSD17B10COMTLMNAHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828507-B2 Printing ink composition SEIKO EPSON CORPORATION (JP) 2017-11-28 US disclosed
US-9822272-B2 Printing ink composition SEIKO EPSON CORPORATION (JP) 2017-11-21 US disclosed
EP-1855106-B1 LIQUID ELECTROCHEMICAL GAS SENSOR FIGARO ENG (JP) 2010-11-03 EP disclosed
US-7381314-B2 Liquid electrochemical gas sensor FIGARO ENGINEERING INC. (JP) 2008-06-03 US disclosed
EP-1855106-A1 LIQUID ELECTROCHEMICAL GAS SENSOR Figaro Engineering Inc. (JP) 2007-11-14 EP disclosed
US-20060196770-A1 Liquid electrochemical gas sensor FIGARO ENGINEERING INC. (JP) 2006-09-07 US disclosed