SCHEMBL28890368

SCHEMBL28890368

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
SLC7A5 Q01650 2/20 0.38
LMNA P02545 1/20 0.38
SLC1A1 P43005 6/20 0.35
SLC1A3 P43003 5/20 0.35
SLC1A2 P43004 5/20 0.35
OR51E2 Q9H255 1/20 0.34
PDE4A P27815 1/20 0.33
LAP3 P28838 1/20 0.31
ACHE P22303 1/20 0.30
GLO1 Q04760 1/20 0.30

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
SCHEMBL3673862 0.92 USP2 (0.45) USP2SLCO1B1SLC7A5LMNASLC1A1
SCHEMBL598942 0.92 USP2 (0.45) USP2SLCO1B1SLC7A5LMNASLC1A1
SCHEMBL19981311 0.92 USP2 (0.45) USP2SLCO1B1SLC7A5LMNASLC1A1
SCHEMBL587730 0.92 USP2 (0.45) USP2SLCO1B1SLC7A5LMNASLC1A1
SCHEMBL6739408 0.92 USP2 (0.45) USP2SLCO1B1SLC7A5LMNASLC1A1
SCHEMBL755924 0.80 SLC7A5 (0.50) USP2SLCO1B1SLC7A5SLC1A1SLC1A3
SCHEMBL1168875 0.80 SLC7A5 (0.50) USP2SLCO1B1SLC7A5SLC1A1SLC1A3
SCHEMBL7420375 0.80 SLC7A5 (0.50) USP2SLCO1B1SLC7A5SLC1A1SLC1A3
SCHEMBL28319951 0.78 SLC7A5 (0.48) USP2SLCO1B1SLC7A5SLC1A1SLC1A3
SCHEMBL28319949 0.78 SLC7A5 (0.48) USP2SLCO1B1SLC7A5SLC1A1SLC1A3

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-115379831-A Nanoparticles encapsulating small molecules 苏黎世联邦理工学院 2022-11-22 CN disclosed