Valine

Valine

SCHEMBL7207898

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

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.79
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 2/20 0.41
TP53 P04637 1/20 0.36
DPP4 P27487 3/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
LAP3 P28838 1/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ENPEP Q07075 2/20 0.32

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
Valine SCHEMBL19548431 1.00 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9399607 0.92 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL4261471 0.92 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7704095 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9723033 0.89 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7610659 0.89 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL5500979 0.89 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL7610657 0.89 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL18051145 0.89 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL11388654 0.89 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724647-A4 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME GILEAD SCIENCES INC (US) 2003-09-17 EP disclosed
EP-0724647-A1 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME NeXstar Pharmaceuticals, Inc. (US) 1996-08-07 EP disclosed
WO-1995007364-A1 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME NEXSTAR PHARMACEUTICALS, INC. (US) 1995-03-16 WO disclosed