SCHEMBL9821119

SCHEMBL9821119

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.62
ARG2 P78540 1/20 0.62
NOS2 P35228 3/20 0.55
NOS1 P29475 2/20 0.55
NOS3 P29474 1/20 0.55
GSR P00390 1/20 0.45
BHMT Q93088 6/20 0.42
BHMT2 Q9H2M3 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL296784 1.00 ARG1 (0.62) ARG1ARG2NOS2NOS1NOS3
SCHEMBL110108 1.00 ARG1 (0.62) ARG1ARG2NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL17633808 0.98 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
Bromide SCHEMBL5505432 0.98 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL5494298 0.98 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
Bromide SCHEMBL5505430 0.98 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL9815370 0.98 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL8472319 0.98 ARG1 (0.60) ARG1ARG2NOS2NOS1NOS3
Cysteamine SCHEMBL11584063 0.92 ARG1 (0.55) ARG1ARG2NOS2NOS1NOS3
SCHEMBL17361239 0.88 ARG1 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181578-B1 ANTIBIOTIC POLYPEPTIDE, PROCESS FOR ITS PREPARATION AND ITS USE Dr. Karl Thomae GmbH (DE) 1991-09-04 EP disclosed
EP-0181578-A2 Antibiotic polypeptide, process for its preparation and its use Dr. Karl Thomae GmbH (DE) 1986-05-21 EP disclosed