Sugi Predict

Sugi Predict / Compounds / SCHEMBL7331111

SCHEMBL7331111

SCHEMBL7331111

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCCC1C(O)C(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.55
▸ CTSD P07339 17/20 0.50
▸ ELANE P08246 1/20 0.40

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
SCHEMBL9754554 1.00 BACE1 (0.55) BACE1CTSDELANE
SCHEMBL7322824 1.00 BACE1 (0.55) BACE1CTSDELANE
SCHEMBL7320854 1.00 BACE1 (0.55) BACE1CTSDELANE
SCHEMBL7325334 0.96 BACE1 (0.56) BACE1CTSDELANE
SCHEMBL10378717 0.92 BACE1 (0.58) BACE1CTSD
SCHEMBL7329186 0.92 BACE1 (0.58) BACE1CTSD
SCHEMBL7322772 0.91 BACE1 (0.48) BACE1CTSD
SCHEMBL7323930 0.87 BACE1 (0.46) BACE1CTSD
SCHEMBL7322713 0.87 BACE1 (0.45) BACE1CTSD
SCHEMBL7322940 0.87 BACE1 (0.45) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP claimed
WO-1991015121-A1 METHOD FOR TREATING FUNGAL INFECTION SMITHKLINE BEECHAM CORPORATION (US) 1991-10-17 — — WO disclosed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed