SCHEMBL29931628

SCHEMBL29931628

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 10/20 0.53
▸ BACE1 P56817 4/20 0.49
▸ FNTA P49354 4/20 0.45
▸ FNTB P49356 4/20 0.45

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
SCHEMBL29931588 1.00 ENPEP (0.53) ENPEPBACE1FNTAFNTB
SCHEMBL30163257 0.91 ENPEP (0.51) ENPEPBACE1
SCHEMBL30051366 0.90 ENPEP (0.49) ENPEPFNTAFNTB
SCHEMBL30163434 0.89 BACE1 (0.52) ENPEPBACE1
SCHEMBL29603283 0.89 FNTA (0.49) FNTAFNTB
SCHEMBL30076038 0.89 ENPEP (0.51) ENPEPBACE1
SCHEMBL2373394 0.88 BACE1 (0.48) ENPEPBACE1
SCHEMBL24725397 0.86 BACE1 (0.52) ENPEPBACE1
SCHEMBL29630477 0.86 ENPEP (0.60) ENPEPBACE1
SCHEMBL17867302 0.85 BACE1 (0.44) ENPEPBACE1FNTAFNTB

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-113144171-B Polypeptide nano-drug with oxidation response morphology transformation 南开大学 2022-09-20 — — CN disclosed
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