SCHEMBL30554861

SCHEMBL30554861

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.44
▸ BACE1 P56817 9/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP5 P51878 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ CASP10 Q92851 1/20 0.43
▸ TASP1 Q9H6P5 1/20 0.42
▸ GLP1R P43220 3/20 0.41
▸ F2 P00734 4/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CRHR1 P34998 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL30554853 0.96 BACE1 (0.46) MAGI3BACE1CASP1CASP3CASP4
SCHEMBL30512755 0.89 BACE1 (0.42) BACE1GLP1RF2CRHR1CRHR2
SCHEMBL29994497 0.88 BACE1 (0.48) BACE1TASP1GLP1RCTSD
SCHEMBL31256972 0.87 BACE1 (0.48) BACE1CTSD
SCHEMBL31307258 0.85 GLP1R (0.51) BACE1GLP1RF2CRHR1CRHR2
SCHEMBL31256965 0.85 BACE1 (0.48) BACE1GLP1RCRHR1CRHR2
SCHEMBL30353795 0.85 BACE1 (0.47) BACE1GLP1RF2
SCHEMBL30638816 0.85 MME (0.35) BACE1F2
SCHEMBL10619527 0.85 BACE1 (0.48) BACE1GLP1RCRHR1CRHR2
SCHEMBL10619539 0.85 BACE1 (0.48) BACE1GLP1RCRHR1CRHR2

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