SCHEMBL30554853

SCHEMBL30554853

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.46
▸ CASP1 P29466 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CASP4 P49662 1/20 0.44
▸ CASP5 P51878 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ CASP8 Q14790 1/20 0.44
▸ CASP10 Q92851 1/20 0.44
▸ F2 P00734 4/20 0.43
▸ TASP1 Q9H6P5 1/20 0.43
▸ MAGI3 Q5TCQ9 1/20 0.42
▸ GLP1R P43220 2/20 0.42
▸ CTSD P07339 1/20 0.42
▸ CALCR P30988 1/20 0.41

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
SCHEMBL30554861 0.96 MAGI3 (0.44) BACE1CASP1CASP3CASP4CASP5
SCHEMBL30512755 0.91 BACE1 (0.42) BACE1F2GLP1RCALCR
SCHEMBL30567747 0.89 BACE1 (0.46) BACE1CTSD
SCHEMBL31307258 0.88 GLP1R (0.51) BACE1F2GLP1RCALCR
SCHEMBL29994497 0.88 BACE1 (0.48) BACE1TASP1GLP1RCTSD
SCHEMBL30353795 0.87 BACE1 (0.47) BACE1F2GLP1RCALCR
SCHEMBL32677403 0.87 BACE1 (0.45) BACE1CASP1CASP3CASP4CASP5
SCHEMBL30589934 0.86 TASP1 (0.50) BACE1F2TASP1GLP1R
SCHEMBL7555807 0.86 ENPEP (0.42) BACE1CASP1CASP3CASP4CASP5
SCHEMBL10619527 0.85 BACE1 (0.48) BACE1GLP1RCALCR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693611-A Thick broad-bean sauce polypeptide and preparation method and application thereof 成都大学 2023-09-05 — — CN disclosed
CN-116693611-A Thick broad-bean sauce polypeptide and preparation method and application thereof 成都大学 2023-09-05 — — CN disclosed
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