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Sugi Predict / Compounds / SCHEMBL8772356

SCHEMBL8772356

SCHEMBL8772356

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.50
▸ CTSD P07339 3/20 0.50
▸ ENPEP Q07075 5/20 0.48
▸ MAGI3 Q5TCQ9 1/20 0.43

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
SCHEMBL8772347 1.00 BACE1 (0.50) BACE1CTSDENPEPMAGI3
SCHEMBL8772319 0.93 ENPEP (0.47) BACE1CTSDENPEPMAGI3
SCHEMBL8772333 0.93 ENPEP (0.47) BACE1CTSDENPEPMAGI3
SCHEMBL8772284 0.88 ENPEP (0.51) BACE1CTSDENPEP
SCHEMBL8772274 0.88 ENPEP (0.51) BACE1CTSDENPEP
SCHEMBL29799784 0.88 ENPEP (0.51) BACE1CTSDENPEPMAGI3
SCHEMBL28081103 0.87 BACE1 (0.62) BACE1CTSD
SCHEMBL8772335 0.87 BACE1 (0.47) BACE1CTSDENPEPMAGI3
SCHEMBL8772318 0.87 BACE1 (0.47) BACE1CTSDENPEPMAGI3
SCHEMBL30466687 0.86 ENPEP (0.49) BACE1CTSDENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544781-B1 NEW PEPTIDES AND THEIR USE MALVAC FOUNDATION (SE) 1997-10-15 — — EP claimed
US-5609872-A Peptides comprising a protective epitope from blood stages of plasmodium falciparum MALVAC FOUNDATION (SE) 1997-03-11 — — US claimed
EP-0544781-A1 NEW PEPTIDES AND THEIR USE. MALVAC FOUNDATION (SE) 1993-06-09 — — EP claimed
WO-1992003159-A1 NEW PEPTIDES AND THEIR USE MALVAC FOUNDATION (SE) 1992-03-05 — — WO claimed
EP-0544781-B1 NEW PEPTIDES AND THEIR USE MALVAC FOUNDATION (SE) 1997-10-15 — — EP disclosed
US-5609872-A Peptides comprising a protective epitope from blood stages of plasmodium falciparum MALVAC FOUNDATION (SE) 1997-03-11 — — US disclosed
WO-1992003159-A1 NEW PEPTIDES AND THEIR USE MALVAC FOUNDATION (SE) 1992-03-05 — — WO disclosed