SCHEMBL31733014

SCHEMBL31733014

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.67
▸ BACE2 Q9Y5Z0 6/20 0.67
▸ PTPN1 P18031 3/20 0.59
▸ CTSD P07339 1/20 0.56

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
SCHEMBL29598002 0.89 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL31554789 0.88 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL29798264 0.87 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL29360986 0.87 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL30502367 0.87 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL31575679 0.86 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL29679577 0.86 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL30512850 0.86 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL17935594 0.86 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL31528247 0.86 OPRK1 (0.60) BACE1BACE2PTPN1

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-2025236058-A1 BIOINSPIRED PEPTIDE FOR THE TREATMENT OF MELASMA BIOINTECH BIOTECNOLOGIA (BR) 2025-11-20 — — WO disclosed
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