SCHEMBL20178599

SCHEMBL20178599

C=CCOC(=O)NCCSCC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
NOS2 P35228 3/20 0.38
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
DDAH1 O94760 1/20 0.36
CASP1 P29466 4/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 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
SCHEMBL16447139 1.00 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL17852295 1.00 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL1700570 0.86 ARG1 (0.37) ARG1ARG2NOS2NOS1NOS3
SCHEMBL1700571 0.86 ARG1 (0.37) ARG1ARG2NOS2NOS1NOS3
SCHEMBL24185361 0.81 DDAH1 (0.46) DDAH1CASP1SLC1A3SLC1A1GRIK1
SCHEMBL20192745 0.80 ARG1 (0.44) ARG1ARG2NOS2NOS1NOS3
SCHEMBL28297586 0.78 DDAH1 (0.57) ARG1ARG2NOS2DDAH1CASP1
SCHEMBL22281180 0.78 DDAH1 (0.57) ARG1ARG2NOS2DDAH1CASP1
SCHEMBL7194971 0.78 DDAH1 (0.57) ARG1ARG2NOS2DDAH1CASP1
SCHEMBL17852438 0.78 ARG1 (0.42) ARG1ARG2NOS2NOS1NOS3

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-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 US disclosed