SCHEMBL7326637

SCHEMBL7326637

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.47
REN P00797 3/20 0.46
BACE1 P56817 7/20 0.43
BACE2 Q9Y5Z0 3/20 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
SCHEMBL7326624 1.00 CTSD (0.47) CTSDRENBACE1BACE2
SCHEMBL7357139 0.91 CTSD (0.45) CTSDRENBACE1BACE2
SCHEMBL7321304 0.87 CTSD (0.59) CTSDREN
SCHEMBL7327030 0.85 CTSD (0.61) CTSDRENBACE1
SCHEMBL10378670 0.84 CTSD (0.40) CTSDRENBACE1BACE2
SCHEMBL7325341 0.83 CTSD (0.39) CTSDRENBACE1BACE2
SCHEMBL7321482 0.83 CTSD (0.65) CTSDRENBACE1
SCHEMBL7328595 0.81 CTSD (0.65) CTSDRENBACE1
SCHEMBL9754465 0.79 CTSD (0.64) CTSDRENBACE1
SCHEMBL7322162 0.79 CTSD (0.41) CTSDREN

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 2 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 disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed