SCHEMBL1287232

SCHEMBL1287232

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
SLC1A3 P43003 6/20 0.46
SLC1A2 P43004 6/20 0.46
SLC1A1 P43005 6/20 0.46
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
LAP3 P28838 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DDAH1 O94760 2/20 0.34
ENPEP Q07075 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
SCHEMBL11426783 0.77 SLC1A3 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL11005597 0.76 TP53 (0.35) SLC7A5
SCHEMBL2031755 0.74 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL571632 0.74 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL17667384 0.74 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
Isoleucine SCHEMBL1255582 0.73 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1
Isoleucine SCHEMBL8868 0.73
Isoleucine SCHEMBL20340795 0.73
Isoleucine SCHEMBL8043620 0.73 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1
Bicarbonate SCHEMBL8039500 0.73 GABRP (0.42) SLC7A5SLC1A3SLC1A2SLC1A1NOS3

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-2012048013-A2 PHOSPHORODIAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INJECTIONS INHIBITEX, INC. (US) 2012-04-12 WO disclosed