SCHEMBL3106068

SCHEMBL3106068

NC(=O)C(CSSCC(N)C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLUL P15104 1/20 0.35
NOS2 P35228 3/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
BHMT Q93088 1/20 0.34
OTC P00480 1/20 0.34
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32

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
SCHEMBL2981869 0.91 GLUL (0.37) GLULNOS2NOS1NOS3BHMT
SCHEMBL2981858 0.91 GLUL (0.37) GLULNOS2NOS1NOS3BHMT
SCHEMBL2981882 0.91 GLUL (0.37) GLULNOS2NOS1NOS3BHMT
Cystine SCHEMBL30234178 0.76 GLUL (0.44) GLULNOS2NOS1NOS3BHMT
SCHEMBL15548560 0.74 SLC7A5 (0.41) GLUL
SCHEMBL15548558 0.74 SLC7A5 (0.41) GLUL
SCHEMBL2992209 0.73 BHMT (0.47) GLULNOS2NOS1NOS3BHMT
SCHEMBL2992203 0.73 BHMT (0.47) GLULNOS2NOS1NOS3BHMT
SCHEMBL9703082 0.72 NOS2 (0.47) NOS2NOS1NOS3BHMTARG1
SCHEMBL29008680 0.72 NOS2 (0.47) NOS2NOS1NOS3BHMTARG1

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed