Valine

Valine

SCHEMBL8946043

CC(C)=NO.CC(C)[C@H](N)C(=O)O.CCOCC

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.54
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
GRIK1 P39086 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31

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 SCHEMBL3824999 0.89 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL8038980 0.87 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1GABRP
Valine SCHEMBL10718697 0.85 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1GABRP
Valine SCHEMBL28429527 0.76 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL22187050 0.76 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Threonine SCHEMBL5082569 0.75 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1GABRP
Valine SCHEMBL11876966 0.74 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Valine SCHEMBL161003 0.74 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1GABRP
Valine SCHEMBL3967257 0.74 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1GABRP
Alanine SCHEMBL14688036 0.74 GABRP (0.42) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1

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-5557013-A Preparation of O-substituted hydroxylammonium salts BASF AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed