SCHEMBL9810237

SCHEMBL9810237

CC(C)C[C@H](N)C(=O)N(C(=O)[C@@H](N)CC(C)C)[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
SLC1A3 P43003 4/20 0.41
SLC1A2 P43004 4/20 0.41
SLC1A1 P43005 3/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
NOS2 P35228 3/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34

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
SCHEMBL9810241 1.00 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL26087006 0.86 NOS2 (0.37) SLC7A5SLC1A3SLC1A2SLC1A1NOS2
SCHEMBL20489327 0.86 NOS2 (0.37) SLC7A5SLC1A3SLC1A2SLC1A1NOS2
SCHEMBL8820878 0.83 SLC7A5 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1NOS2
SCHEMBL3056494 0.82 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1ANPEP
Cystine SCHEMBL9056066 0.82 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CYP3A4
Cystine SCHEMBL9056070 0.82 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CYP3A4
Cystine SCHEMBL9056059 0.82 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL111219 0.79 NOS2 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL111218 0.79 NOS2 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1CYP3A4

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
EP-0264953-B1 USE OF N,N'-BIS-L-AMINO ACID-L-CYSTIN PEPTIDES IN AMINO ACID PREPARATIONS FOR ORAL AND PARENTERAL ADMINISTRATION PFRIMMER KABI GMBH & CO. KG (DE) 1991-05-08 EP claimed