Valine

Valine

SCHEMBL9547467

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

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 SCHEMBL7576256 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL28052863 0.85 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1
Carbamic Acid SCHEMBL4908575 0.81 ALDH1A1 (0.42) TSHRALDH1A1
Bicarbonate SCHEMBL27894778 0.80 ALDH1A1 (0.46) TSHRALDH1A1
Bicarbonate SCHEMBL28402036 0.80 ALDH1A1 (0.46) TSHRALDH1A1
Acetic Acid SCHEMBL28100326 0.80 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL35971 0.80
Valine SCHEMBL3629310 0.79 SLC7A5 (0.60) SLC7A5TSHRALDH1A1SLC1A3SLC1A2
Valine SCHEMBL8575925 0.79 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1
Methacrylic Acid SCHEMBL5356962 0.78 ALDH1A1 (0.44) TSHRALDH1A1

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-5250085-A Coupled by silane component to cured polyurethane resin MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-05 US disclosed