SCHEMBL28100875

SCHEMBL28100875

CN(C1CC(C)(C)N(O)C(C)(C)C1)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1401924 0.74 ALDH1A1 (0.45) GAAPKMALDH1A1ALOX15L3MBTL1
SCHEMBL18900991 0.74 ALDH1A1 (0.45) GAAPKMALDH1A1ALOX15L3MBTL1
SCHEMBL21163316 0.72 GAA (0.46) GAAPKMALDH1A1ALOX15L3MBTL1
Tempol Hydroxylamine SCHEMBL7516297 0.71 GAA (0.46) GAAPKMALDH1A1ALOX15L3MBTL1
Tempol Hydroxylamine SCHEMBL986308 0.71 GAA (0.46) GAAPKMALDH1A1ALOX15L3MBTL1
Sulfuric Acid SCHEMBL7530724 0.69 GAA (0.40) GAAPKMALDH1A1ALOX15L3MBTL1
SCHEMBL5633224 0.69
SCHEMBL18901300 0.69 GAA (0.43) GAAPKMALDH1A1ALOX15L3MBTL1
SCHEMBL18900992 0.68 ALDH1A1 (0.41) GAAPKMALDH1A1ALOX15L3MBTL1
SCHEMBL13227478 0.68 GAA (0.39) GAAPKMALDH1A1ALOX15L3MBTL1

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
CN-105998028-A Hydroxylamine compounds and methods of their use 科尔比制药公司 2016-10-12 CN disclosed