SCHEMBL28302170

SCHEMBL28302170

N[C@H](C(=O)O)C(C(=O)O)C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
ECE1 P42892 3/20 0.38
FOLH1 Q04609 1/20 0.37
SLC1A2 P43004 3/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A1 P43005 2/20 0.34
HDAC7 Q8WUI4 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
GLO1 Q04760 1/20 0.31

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
SCHEMBL350704 0.78 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL350703 0.78 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A3SLC1A1USP2
Bicarbonate SCHEMBL12986986 0.75 SLC7A5 (0.50) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL5284864 0.69 SLC7A5 (0.57) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL29524472 0.69 SLC7A5 (0.57) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL1007447 0.67 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL468084 0.67 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL600021 0.67 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL29957453 0.67 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2
SCHEMBL25933046 0.67 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A3SLC1A1USP2

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-109806253-A L-Aspartic acid β-Hydroxamates inhibit the application and method of choroidal neovascularization drug in preparation 温州医科大学 2019-05-28 CN disclosed