SCHEMBL8823909

SCHEMBL8823909

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 3/20 0.45
ANPEP P15144 7/20 0.42
RNPEP Q9H4A4 4/20 0.42
DNPEP Q9ULA0 2/20 0.42
ELANE P08246 1/20 0.42
LAP3 P28838 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
DPP4 P27487 1/20 0.37
LARS1 Q9P2J5 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL23966934 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL12214830 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13895431 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL28095787 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL8837368 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10297430 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL2911383 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10021630 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL11225485 0.76 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10536292 0.76 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed