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Sugi Predict / Compounds / SCHEMBL30792550

SCHEMBL30792550

SCHEMBL30792550

CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ BACE1 P56817 12/20 0.54
▸ BACE2 Q9Y5Z0 3/20 0.54
▸ OPRD1 P41143 2/20 0.51
▸ CTSD P07339 2/20 0.51
▸ IL23R Q5VWK5 1/20 0.50

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
SCHEMBL30792551 1.00 TFPI (0.55) TFPIBACE1BACE2OPRD1CTSD
SCHEMBL29701318 0.90 OPRD1 (0.57) OPRD1
SCHEMBL30712924 0.87 TFPI (0.61) TFPIBACE1BACE2OPRD1
SCHEMBL30974088 0.87 BACE1 (0.62) TFPIBACE1OPRD1CTSD
SCHEMBL31243887 0.86 OPRD1 (0.53) BACE1BACE2OPRD1CTSD
SCHEMBL30906397 0.86 IL23R (0.56) BACE1BACE2OPRD1IL23R
SCHEMBL29702222 0.86 TFPI (0.61) TFPIOPRD1
SCHEMBL31243858 0.86 TFPI (0.55) TFPIOPRD1IL23R
SCHEMBL30495786 0.85 TFPI (0.58) TFPIBACE1
SCHEMBL30570969 0.85 OPRD1 (0.56) BACE1BACE2OPRD1CTSD

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-117736267-A Small molecular peptide derived from termitomyces albuminosus and application thereof 昆明理工大学 2024-03-22 — — CN claimed
CN-117736267-A Small molecular peptide derived from termitomyces albuminosus and application thereof 昆明理工大学 2024-03-22 — — CN disclosed
CN-117736267-A Small molecular peptide derived from termitomyces albuminosus and application thereof 昆明理工大学 2024-03-22 — — CN disclosed
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