SCHEMBL30832635

SCHEMBL30832635

CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.49
▸ PSMB5 P28074 1/20 0.38
▸ GLO1 Q04760 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ GSTK1 Q9Y2Q3 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ BMP1 P13497 1/20 0.34

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
SCHEMBL7614745 0.90 NOD1 (0.52) NOD1GLO1PTGS1GSTK1KMT2A
SCHEMBL7614754 0.90 NOD1 (0.52) NOD1GLO1PTGS1GSTK1KMT2A
SCHEMBL10437931 0.86 NOD1 (0.42) NOD1PSMB5GLO1FURINCTSD
SCHEMBL10437932 0.86 NOD1 (0.42) NOD1PSMB5GLO1FURINCTSD
Ea-230 SCHEMBL29360663 0.85 NOD1 (0.44) NOD1PSMB5GLO1PTGS1GSTK1
SCHEMBL30920966 0.85 NOD1 (0.52) NOD1GLO1PTGS1GSTK1FOLH1
SCHEMBL30073124 0.85 NOD1 (0.38) NOD1PSMB5GLO1PTGS1GSTK1
SCHEMBL31571919 0.84 NOD1 (0.44) NOD1GLO1PTGS1GSTK1KMT2A
SCHEMBL30073043 0.84 KEAP1 (0.37) NOD1PSMB5CTSBFURINCTSD
SCHEMBL10646360 0.82 NOD1 (0.49) NOD1GLO1PTGS1GSTK1KMT2A

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-117659120-A Tetrapeptide with adenine-binding activity, and coding gene and application thereof 华南理工大学 2024-03-08 — — CN disclosed
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