SCHEMBL23154560

SCHEMBL23154560

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.46
▸ ACE P12821 11/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ ECE1 P42892 2/20 0.37
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ CTRB1 P17538 1/20 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
SCHEMBL2545697 0.85 NOD1 (0.48) NOD1ACEDPP4ECE1DPP8
SCHEMBL2545708 0.85 NOD1 (0.48) NOD1ACEDPP4ECE1DPP8
SCHEMBL30830405 0.85 NOD1 (0.48) NOD1ACEDPP4ECE1DPP8
SCHEMBL10704006 0.79 NOD1 (0.44) NOD1ACEDPP4DPP8DPP7
SCHEMBL9326107 0.79 NOD1 (0.50) NOD1ACEDPP4ECE1
SCHEMBL17234230 0.77 MAPT (0.55) —
SCHEMBL24130307 0.77 NOD1 (0.47) NOD1ACEDPP4ECE1DPP8
SCHEMBL24130271 0.77 NOD1 (0.47) NOD1ACEDPP4ECE1DPP8
SCHEMBL4561648 0.77 MME (0.54) NOD1ACEDPP4ECE1DPP8
SCHEMBL24130309 0.77 NOD1 (0.47) NOD1ACEDPP4ECE1DPP8

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
WO-2021060336-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE 持田製薬株式会社 2021-04-01 — — WO disclosed
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