Valine

Valine

SCHEMBL17036690

CC(C)[C@H](N)C(=O)O.C[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.61

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.61
CA2 P00918 3/20 0.55
CA1 P00915 3/20 0.55
SLC7A5 Q01650 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
DGAT1 O75907 1/20 0.44
HDAC1 Q13547 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KMT2A Q03164 1/20 0.43

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 SCHEMBL17036707 1.00 SLC1A2 (0.61) SLC1A2CA2CA1SLC7A5ALDH1A1
Valine SCHEMBL17036694 1.00 SLC1A2 (0.61) SLC1A2CA2CA1SLC7A5ALDH1A1
SCHEMBL698880 0.88 CA1 (0.62) SLC1A2CA2CA1ALDH1A1SMN1; SMN2
SCHEMBL2796740 0.88 CA1 (0.62) SLC1A2CA2CA1ALDH1A1SMN1; SMN2
SCHEMBL698879 0.88 CA1 (0.62) SLC1A2CA2CA1ALDH1A1SMN1; SMN2
Valine SCHEMBL17036704 0.86 CA2 (0.55) SLC1A2CA2CA1SLC7A5ALDH1A1
Valine SCHEMBL17036698 0.86 CA2 (0.55) SLC1A2CA2CA1SLC7A5ALDH1A1
Valine SCHEMBL17036692 0.86 SLC1A2 (0.73) SLC1A2CA2CA1SLC7A5ALDH1A1
Urea SCHEMBL28285830 0.85 CA2 (0.59) SLC1A2CA2CA1ALDH1A1SMN1; SMN2
Benzoic Acid Hydrazide SCHEMBL11850287 0.83 SLC1A2 (0.56) SLC1A2CA2CA1SLC7A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107488129-B Method for purifying L-valine from L-valine compound 黄冈威尔曼生物科技有限责任公司 2020-05-01 CN claimed
US-9120722-B1 Optically active valine complex and a method for producing the same Wellman Biosciences Co. Ltd. (CN) 2015-09-01 US claimed
CN-107488129-B Method for purifying L-valine from L-valine compound 黄冈威尔曼生物科技有限责任公司 2020-05-01 CN disclosed
US-9120722-B1 Optically active valine complex and a method for producing the same Wellman Biosciences Co. Ltd. (CN) 2015-09-01 US disclosed
US-9120722-B1 Optically active valine complex and a method for producing the same Wellman Biosciences Co. Ltd. (CN) 2015-09-01 US disclosed