SCHEMBL31341136

SCHEMBL31341136

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.53
▸ BACE2 Q9Y5Z0 5/20 0.53
▸ CTSD P07339 4/20 0.51

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
SCHEMBL30052935 0.90 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL30681783 0.89 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL30681789 0.89 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL29500268 0.88 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL31341151 0.88 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL30641620 0.87 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL30468889 0.86 FOLH1 (0.49) BACE1BACE2CTSD
SCHEMBL29749155 0.86 FOLH1 (0.49) BACE1BACE2CTSD
SCHEMBL31688171 0.85 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL30784938 0.85 BACE1 (0.56) BACE1BACE2CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162959-B2 Cyclic peptide for treating cancer SAINT LEO UNIVERSITY (US) 2024-12-10 — — US claimed
US-12162959-B2 Cyclic peptide for treating cancer SAINT LEO UNIVERSITY (US) 2024-12-10 — — US disclosed
US-12162959-B2 Cyclic peptide for treating cancer SAINT LEO UNIVERSITY (US) 2024-12-10 — — US disclosed
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