SCHEMBL30239142

SCHEMBL30239142

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.58
▸ F2 P00734 2/20 0.51
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ CTSD P07339 2/20 0.48
▸ NTSR2 O95665 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ CASP10 Q92851 1/20 0.47
▸ TLR2 O60603 1/20 0.47

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
SCHEMBL30239118 0.92 BACE1 (0.55) BACE1F2CTSDNTSR2NTSR1
SCHEMBL29373116 0.89 BACE1 (0.61) BACE1F2CTSDNTSR2NTSR1
SCHEMBL30607220 0.88 BACE1 (0.65) BACE1CTSDNTSR2NTSR1
SCHEMBL30368966 0.87 BACE1 (0.59) BACE1F2CTSD
SCHEMBL6809794 0.86 BACE1 (0.56) BACE1FNTAFNTB
SCHEMBL6809801 0.86 BACE1 (0.56) BACE1FNTAFNTB
SCHEMBL31182653 0.86 BACE1 (0.62) BACE1CTSD
SCHEMBL7074831 0.85 FNTA (0.58) BACE1FNTAFNTB
SCHEMBL7074828 0.85 FNTA (0.58) BACE1FNTAFNTB
SCHEMBL29794844 0.84 BACE1 (0.57) BACE1CTSD

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-115785215-A Mussel peptide and preparation method and application thereof 青岛琛蓝生物科技有限公司 2023-03-14 — — CN claimed
CN-115785215-A Mussel peptide and preparation method and application thereof 青岛琛蓝生物科技有限公司 2023-03-14 — — CN disclosed
CN-115785215-A Mussel peptide and preparation method and application thereof 青岛琛蓝生物科技有限公司 2023-03-14 — — CN disclosed
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