Valine

Valine

SCHEMBL28307488

CC(C)C(N)C(=O)O.CC(O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.58
SLC1A1 P43005 5/20 0.53
SLC1A3 P43003 4/20 0.53
SLC1A2 P43004 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 3/20 0.49
LTA4H P09960 1/20 0.46
LAP3 P28838 1/20 0.46
SLC7A5 Q01650 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSB P07858 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 SCHEMBL28244846 0.91 SLC15A1 (0.60) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A
Valine SCHEMBL28244847 0.91 SLC15A1 (0.60) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A
Lactic Acid SCHEMBL28307486 0.89 SLC15A1 (0.59) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A
SCHEMBL320610 0.87 ALDH1A1 (0.62) KMT2AALDH1A1LTA4HLAP3MAPK1
SCHEMBL1107604 0.87 ALDH1A1 (0.62) KMT2AALDH1A1LTA4HLAP3MAPK1
SCHEMBL201855 0.87 ALDH1A1 (0.62) KMT2AALDH1A1LTA4HLAP3MAPK1
SCHEMBL2137609 0.85 SLC15A1 (0.61) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A
SCHEMBL354949 0.85 SLC15A1 (0.61) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A
SCHEMBL542444 0.85 SLC15A1 (0.61) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A
Hydrochloric Acid SCHEMBL7275897 0.84 SLC15A1 (0.59) SLC15A1SLC1A1SLC1A3SLC1A2KMT2A

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
CN-110028415-A Curcumin derivate and application thereof 南京诺瑞特医药科技有限公司 2019-07-19 CN disclosed