SCHEMBL8096751

SCHEMBL8096751

CC(C)[C@H](N=C=O)C(=O)O.CCC(N)N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 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
Alanine SCHEMBL7441582 0.86 SLC7A5 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL2858868 0.86 TP53 (0.35) SLC7A5
SCHEMBL7836353 0.86 TP53 (0.35) SLC7A5
SCHEMBL2858866 0.86 TP53 (0.35) SLC7A5
Water SCHEMBL27383418 0.84 TP53 (0.33) SLC7A5
SCHEMBL1274255 0.79 ALDH1A1 (0.36)
SCHEMBL1188859 0.79 ALDH1A1 (0.36)
SCHEMBL1439235 0.79 ALDH1A1 (0.36)
SCHEMBL4787912 0.78 CA2 (0.31) SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL15689301 0.77 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1

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
US-6083372-A FAST, HIGH RESOLUTION SEPARATIONS WITH INCREASED DETECTABILITY. WATERS INVESTMENTS LIMITED (US) 2000-07-04 US disclosed