SCHEMBL30474563

SCHEMBL30474563

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 12/20 0.40
▸ DPP8 Q6V1X1 8/20 0.40
▸ DPP9 Q86TI2 7/20 0.40
▸ LAP3 P28838 1/20 0.39
▸ METAP1 P53582 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ IARS1 P41252 1/20 0.36
▸ DPP7 Q9UHL4 7/20 0.36

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
SCHEMBL29761133 0.82 DPP4 (0.36) DPP4DPP8DPP9LAP3METAP1
SCHEMBL1758772 0.79 LAP3 (0.46) DPP4DPP8DPP9LAP3CA4
SCHEMBL2783500 0.79 DPP4 (0.47) DPP4DPP8DPP9IARS1DPP7
SCHEMBL19386023 0.78 CA4 (0.46) LAP3CA4
SCHEMBL28875920 0.78 CA4 (0.46) LAP3CA4
SCHEMBL9801771 0.78 CA4 (0.46) LAP3CA4
SCHEMBL9801758 0.78 CA4 (0.46) LAP3CA4
SCHEMBL5161688 0.77 DPP4 (0.46) DPP4DPP8DPP9IARS1DPP7
SCHEMBL3930248 0.77 DPP4 (0.46) DPP4DPP8DPP9IARS1DPP7
Magnesium SCHEMBL9801764 0.76 CA4 (0.44) LAP3CA4

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-112933243-B Complex crystal of isoleucyl tRNA synthetase and Lei Fumei element A, and preparation method and application thereof 中山大学 2023-06-27 — — CN claimed
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