Sugi Predict

Sugi Predict / Compounds / SCHEMBL7328124

SCHEMBL7328124

SCHEMBL7328124

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.51
▸ CTSD P07339 4/20 0.49
▸ REN P00797 3/20 0.47
▸ CTSE P14091 2/20 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
SCHEMBL7328119 1.00 BACE1 (0.51) BACE1CTSDRENCTSE
SCHEMBL7330209 1.00 BACE1 (0.51) BACE1CTSDRENCTSE
SCHEMBL7325544 0.91 BACE1 (0.51) BACE1CTSDRENCTSE
SCHEMBL7325549 0.88 BACE1 (0.45) BACE1CTSDRENCTSE
SCHEMBL7327920 0.81 CTSD (0.45) BACE1CTSDREN
SCHEMBL7320110 0.76 CTSD (0.50) BACE1CTSDRENCTSE
SCHEMBL7330281 0.76 BACE1 (0.47) BACE1CTSD
SCHEMBL7330286 0.76 BACE1 (0.47) BACE1CTSD
SCHEMBL10378306 0.76 ADORA3 (0.41) BACE1REN
SCHEMBL7332264 0.74 MAGI3 (0.43) 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 3 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
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