SCHEMBL4430995

SCHEMBL4430995

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
TP53 P04637 1/20 0.38
PTGS1 P23219 2/20 0.33
GRIK1 P39086 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32
GLO1 Q04760 1/20 0.32
NR1I2 O75469 1/20 0.32
ADRA1A P35348 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8746965 1.00 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL12648656 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL2553076 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL336361 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL336363 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL1130719 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL5019049 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL2367279 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL336362 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL13517377 0.79 TSHR (0.56) SLC7A5SLC1A3SLC1A2SLC1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947858-A Compounds selectively inhibiting four amino acid modifications of ADP, preparation and application thereof 首都医科大学 2023-10-27 CN disclosed
EP-2101571-A1 NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2009-09-23 EP disclosed
WO-2008073918-A1 NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-06-19 WO disclosed