Valine

Valine

SCHEMBL6894558

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC1A2 P43004 4/20 0.35
SLC1A3 P43003 3/20 0.35
SLC1A1 P43005 3/20 0.35
SLC15A1 P46059 1/20 0.34
CFTR P13569 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GGH Q92820 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 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
SCHEMBL6894560 0.84 CFTR (0.45) KMT2APOLBALDH1A1CFTRNPSR1
Valine SCHEMBL2541830 0.74 SLC7A5 (0.48) SLC7A5KMT2APOLBTDP1ALDH1A1
Valine SCHEMBL7645312 0.72 SLC7A5 (0.50) SLC7A5KMT2APOLBSLC1A2SLC1A3
SCHEMBL27532862 0.70 CFTR (0.44) KMT2APOLBTDP1ALDH1A1CFTR
Benzoyl Chloride SCHEMBL8782027 0.70 SLC7A5 (0.56) SLC7A5KMT2APOLBTDP1ALDH1A1
SCHEMBL11593829 0.70 KDM4E (0.37) KMT2AALDH1A1MEN1CYP1A2
Biphenyl SCHEMBL2494151 0.69 SLC7A5 (0.65) SLC7A5SLC1A2SLC1A3SLC1A1CYP1A2
Biphenyl SCHEMBL27824248 0.69 SLC7A5 (0.65) SLC7A5SLC1A2SLC1A3SLC1A1CYP1A2
Valine SCHEMBL11539550 0.68 SLC7A5 (0.71) SLC7A5SLC1A2SLC1A3SLC1A1
Valine SCHEMBL27817390 0.68 SLC7A5 (0.79) SLC7A5TDP1ALDH1A1SLC1A2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099705-B1 Method for preparing 3-(hydroxyphenylphosphinyl)-propanoic acid SAEHAN IND INC (KR) 2004-02-11 EP disclosed
EP-1099705-A1 Method for preparing 3-(hydroxyphenylphosphinyl)-propanoic acid SAEHAN INDUSTRIES, INC. (KR) 2001-05-16 EP disclosed