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Sugi Predict / Compounds / SCHEMBL30622615

SCHEMBL30622615

SCHEMBL30622615

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.58
▸ BACE2 Q9Y5Z0 4/20 0.55
▸ F2 P00734 2/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ LNPEP Q9UIQ6 2/20 0.51
▸ ANPEP P15144 1/20 0.51
▸ ACE P12821 2/20 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
SCHEMBL30741250 0.89 VIPR2 (0.56) BACE1BACE2F2CASP1CASP3
SCHEMBL29608001 0.88 ACE (0.53) BACE1BACE2F2CASP1CASP3
SCHEMBL29655823 0.87 ENPEP (0.52) BACE1BACE2F2CASP1CASP3
SCHEMBL30477367 0.87 OPRM1 (0.51) BACE1BACE2CASP3LNPEPANPEP
SCHEMBL30490416 0.87 ACE (0.63) LNPEPANPEPACE
SCHEMBL30490415 0.87 ACE (0.63) LNPEPANPEPACE
SCHEMBL30198566 0.86 BACE1 (0.51) BACE1BACE2F2
SCHEMBL30343610 0.86 NAALAD2 (0.54) BACE1BACE2CASP1CASP3CASP9
SCHEMBL31613781 0.86 NAALAD2 (0.62) BACE1ACE
SCHEMBL29370021 0.86 NAALAD2 (0.62) BACE1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110878309-B Mycobacterium tuberculosis secretory protein ESAT-6 monoclonal antibody heavy chain and light chain variable region gene, coded polypeptide and application thereof 中国人民解放军第四军医大学 2023-09-26 — — CN disclosed
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