Sugi Predict

Sugi Predict / Compounds / SCHEMBL8772284

SCHEMBL8772284

SCHEMBL8772284

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](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 9/20 0.51
▸ BACE1 P56817 5/20 0.44
▸ CTSD P07339 1/20 0.44

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
SCHEMBL8772274 1.00 ENPEP (0.51) ENPEPBACE1CTSD
SCHEMBL8772353 0.94 ENPEP (0.52) ENPEPBACE1
SCHEMBL8772339 0.94 ENPEP (0.52) ENPEPBACE1
SCHEMBL8772245 0.92 ENPEP (0.51) ENPEP
SCHEMBL9451605 0.92 ENPEP (0.54) ENPEPBACE1CTSD
SCHEMBL8772237 0.92 ENPEP (0.51) ENPEP
SCHEMBL9451596 0.92 ENPEP (0.54) ENPEPBACE1CTSD
SCHEMBL8772356 0.88 BACE1 (0.50) ENPEPBACE1CTSD
SCHEMBL8772347 0.88 BACE1 (0.50) ENPEPBACE1CTSD
SCHEMBL8772446 0.86 ENPEP (0.49) ENPEPBACE1

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 8 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
EP-0544781-A1 NEW PEPTIDES AND THEIR USE. MALVAC FOUNDATION (SE) 1993-06-09 — — EP disclosed
WO-1992003159-A1 NEW PEPTIDES AND THEIR USE MALVAC FOUNDATION (SE) 1992-03-05 — — WO disclosed