SCHEMBL31497336

SCHEMBL31497336

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.48
▸ BACE1 P56817 11/20 0.48
▸ BACE2 Q9Y5Z0 2/20 0.48
▸ CTSD P07339 3/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL31497376 0.98 ERBB2 (0.51) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497375 0.94 ERBB2 (0.48) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497372 0.93 BACE1 (0.48) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497322 0.93 BACE1 (0.48) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497359 0.93 SIRT2 (0.50) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497337 0.92 ERBB2 (0.50) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497334 0.91 ERBB2 (0.49) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497363 0.90 TASP1 (0.47) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497385 0.90 ERBB2 (0.48) ERBB2BACE1BACE2CTSDSIRT2
SCHEMBL31497324 0.89 ERBB2 (0.48) ERBB2BACE1BACE2CTSDSIRT2

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
EP-4545551-A1 PEPTIDE INHIBITOR AND USE THEREOF Chengdu Brilliant Inspiration Biotherapeutics Co., Ltd (CN) 2025-04-30 — — EP disclosed
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