Buthionine Sulfoxime

Buthionine Sulfoxime

SCHEMBL4449935

CCCC[S@](=N)(=O)CC[C@@H](N)C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.59
DDAH1 O94760 3/20 0.47
GCLC P48506 1/20 0.47
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 3/20 0.47
SLC1A3 P43003 2/20 0.47
GRIK1 P39086 3/20 0.46
GRIK2 Q13002 3/20 0.46
GSR P00390 1/20 0.46
NOS1 P29475 5/20 0.45
NOS3 P29474 3/20 0.44
NOS2 P35228 3/20 0.44
NOD1 Q9Y239 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ARG1 P05089 3/20 0.42
ARG2 P78540 3/20 0.42

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
Buthionine Sulfoxime SCHEMBL9300391 1.00 PMP22 (0.59) PMP22DDAH1GCLCSLC1A2SLC1A1
Buthionine Sulfoxime SCHEMBL115963 1.00 PMP22 (0.59) PMP22DDAH1GCLCSLC1A2SLC1A1
Buthionine Sulfoximine SCHEMBL62033 1.00 PMP22 (0.59) PMP22DDAH1GCLCSLC1A2SLC1A1
Buthionine Sulfoxime SCHEMBL62034 1.00 PMP22 (0.59) PMP22DDAH1GCLCSLC1A2SLC1A1
Buthionine Sulfoxime SCHEMBL121171 1.00 PMP22 (0.59) PMP22DDAH1GCLCSLC1A2SLC1A1
Buthionine Sulfoximine SCHEMBL28249466 0.98 PMP22 (0.58) PMP22DDAH1GCLCSLC1A2SLC1A1
SCHEMBL13746032 0.89 PMP22 (0.63) PMP22DDAH1GCLCSLC1A2SLC1A1
SCHEMBL5904143 0.89 PMP22 (0.63) PMP22DDAH1GCLCSLC1A2SLC1A1
SCHEMBL21965593 0.86 PMP22 (0.50) PMP22DDAH1GCLCSLC1A2SLC1A1
SCHEMBL27254997 0.86 PMP22 (0.42) PMP22DDAH1GCLCSLC1A2SLC1A1

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-20090123447-A1 COMPOSITIONS AND METHODS TO INHIBIT RNA VIRAL REPRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-05-14 US disclosed