SCHEMBL6517552

SCHEMBL6517552

C[C@](N)(CSC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.46
NOS1 P29475 5/20 0.46
NOS3 P29474 2/20 0.46
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
KIF11 P52732 5/20 0.42
BHMT Q93088 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC7A5 Q01650 1/20 0.36
GGT1 P19440 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
SCHEMBL14956142 1.00 NOS2 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL4954761 1.00 NOS2 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL195089 1.00 NOS2 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL8746612 0.98 NOS2 (0.45) NOS2NOS1NOS3ARG1ARG2
Hydrogen Sulfide SCHEMBL8495952 0.98 NOS2 (0.45) NOS2NOS1NOS3ARG1ARG2
SCHEMBL1667369 0.84 KIF11 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL6835164 0.84 KIF11 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL3703131 0.84 KIF11 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL15932236 0.82 ARG1 (0.48) NOS2NOS1NOS3ARG1ARG2
SCHEMBL2591190 0.82 ARG1 (0.48) NOS2NOS1NOS3ARG1ARG2

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
CN-104321338-A Replacement therapy for dental caries ORAGENICS INC 2015-01-28 CN disclosed
CN-101939328-A Genes and proteins for the biosynthesis of lantibiotics 107891 SENTINELLA PHARMACEUTICALS INC 2011-01-05 CN disclosed
WO-2005044977-A2 COMPOSITIONS, SPLICE VARIANTS AND METHODS RELATING TO LUNG SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2005-05-19 WO disclosed