SCHEMBL30904472

SCHEMBL30904472

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.56
▸ BACE2 Q9Y5Z0 1/20 0.51
▸ CTSD P07339 3/20 0.49
▸ MAGI3 Q5TCQ9 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48

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
SCHEMBL18907573 0.93 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL30542169 0.91 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL30819112 0.91 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL31220207 0.90 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL29351955 0.90 CTSD (0.57) CTSDOPRM1OPRD1
SCHEMBL29630630 0.88 BACE1 (0.56) BACE1BACE2CTSD
Ammonia Solution, Strong SCHEMBL29411356 0.87 BACE1 (0.56) BACE1BACE2CTSDOPRM1OPRD1
SCHEMBL31307223 0.87 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL30439398 0.85 CTSD (0.52) BACE1CTSDOPRM1OPRD1
SCHEMBL29532196 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
CN-118126129-A Yellow tea oligopeptide, preparation method thereof and application thereof in resisting skin photoaging 安徽农业大学 2024-06-04 — — CN claimed
CN-118126129-A Yellow tea oligopeptide, preparation method thereof and application thereof in resisting skin photoaging 安徽农业大学 2024-06-04 — — CN disclosed
CN-118126129-A Yellow tea oligopeptide, preparation method thereof and application thereof in resisting skin photoaging 安徽农业大学 2024-06-04 — — CN disclosed
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