SCHEMBL7329323

SCHEMBL7329323

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

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 14/20 0.69
REN P00797 2/20 0.63
KLK5 Q9Y337 1/20 0.55

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
SCHEMBL7321442 1.00 CTSD (0.69) CTSDRENKLK5
SCHEMBL7321482 0.96 CTSD (0.65) CTSDRENKLK5
SCHEMBL7321304 0.91 CTSD (0.59) CTSDRENKLK5
SCHEMBL7328595 0.91 CTSD (0.65) CTSDREN
SCHEMBL7327030 0.87 CTSD (0.61) CTSDREN
SCHEMBL7329209 0.86 CTSD (0.64) CTSDRENKLK5
SCHEMBL7331052 0.85 CTSD (0.63) CTSDRENKLK5
SCHEMBL20725219 0.82 CTSD (1.00) CTSDREN
SCHEMBL17764785 0.82 CTSD (1.00) CTSDREN
SCHEMBL16296348 0.82 CTSD (1.00) 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