SCHEMBL9329977

SCHEMBL9329977

CC(C)CC(C(=O)O)C(N)[PH](=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 2/20 0.44
RNPEP Q9H4A4 1/20 0.39
LAP3 P28838 8/20 0.36
ANPEP P15144 3/20 0.36
CACNA2D1 P54289 2/20 0.34
ENPEP Q07075 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL9329975 1.00 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL19411426 0.76 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL2412183 0.75 RNPEP (0.55) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
Leucine SCHEMBL1191424 0.72 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
Leucine SCHEMBL1191429 0.72 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL2717757 0.71 SLC1A3 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL5037193 0.69
SCHEMBL7453161 0.69 RNPEP (0.48) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL7407601 0.69 RNPEP (0.48) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL27731259 0.69 RNPEP (0.48) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP

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
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 US disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed