SCHEMBL30872253

SCHEMBL30872253

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.65
CTSD P07339 2/20 0.56
BACE2 Q9Y5Z0 4/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55

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
SCHEMBL30130747 0.94 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL30051385 0.91 LTA4H (0.62) OPRM1OPRD1
SCHEMBL30619402 0.90 OPRM1 (0.58) BACE1BACE2OPRM1OPRD1
SCHEMBL30099486 0.89 BACE1 (0.69) BACE1CTSDBACE2
SCHEMBL29659734 0.89 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL28518723 0.89 LTA4H (0.59) BACE1CTSDBACE2OPRM1OPRD1
SCHEMBL30052981 0.89 LTA4H (0.66) BACE1CTSDBACE2
SCHEMBL28518726 0.89 LTA4H (0.59) BACE1CTSDBACE2OPRM1OPRD1
SCHEMBL29352698 0.89 LTA4H (0.56) CTSD
SCHEMBL29732222 0.89 LTA4H (0.56) CTSD

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
CN-117986325-A Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-05-07 CN claimed
CN-117986325-B Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-12-13 CN disclosed
CN-117986325-A Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-05-07 CN disclosed