Sulfuric Acid Diethyl Ester

Sulfuric Acid Diethyl Ester

SCHEMBL17868367

CCOS(=O)(=O)OCC.Cn1ccnc1

nearest known ligand 0.56

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.56
QPCT Q16769 1/20 0.56
HSD17B10 Q99714 1/20 0.56
QPCTL Q9NXS2 1/20 0.56
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TBXAS1 P24557 4/20 0.34
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP19A1 P11511 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31

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
1-Methylimidazole SCHEMBL993256 0.86 NFKB1 (0.52) NFKB1QPCTHSD17B10QPCTLHTT
1-Methylimidazole SCHEMBL9061829 0.82 NFKB1 (0.47) NFKB1QPCTHSD17B10QPCTLHTT
SCHEMBL21332122 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ETBXAS1LMNAEGLN3
Sulfuric Acid Dimethyl Ester SCHEMBL28773173 0.79 HSD17B10 (0.62) NFKB1QPCTHSD17B10QPCTLHTT
1-Methylimidazole SCHEMBL27857093 0.79 QPCT (0.62) NFKB1QPCTHSD17B10QPCTLHTT
1-Methylimidazole SCHEMBL28357920 0.78 NFKB1 (0.68) NFKB1QPCTHSD17B10QPCTLALDH1A1
1-Methylimidazole SCHEMBL893393 0.78 QPCT (0.68) NFKB1QPCTHSD17B10QPCTLALDH1A1
1-Methylimidazole SCHEMBL27704930 0.77
1-Methylimidazole SCHEMBL29110563 0.77 NFKB1 (0.60) NFKB1QPCTHSD17B10QPCTLHTT
1-Methylimidazole SCHEMBL28322686 0.76 QPCT (0.65) NFKB1QPCTHSD17B10QPCTLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185732-A1 METHOD AND INDUSTRIAL PROCESS FOR CONTINUOUS SYNTHESIS OF DIFFERENT IONIC LIQUIDS TULIPORT S.A.R.L. (LU) 2016-06-30 US disclosed