SCHEMBL7329209

SCHEMBL7329209

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.64
REN P00797 4/20 0.61
KLK5 Q9Y337 1/20 0.55
CTSB P07858 2/20 0.53
CTSK P43235 2/20 0.53
BACE1 P56817 2/20 0.51

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
SCHEMBL7331052 0.99 CTSD (0.63) CTSDRENKLK5CTSBCTSK
SCHEMBL7329730 0.95 CTSD (0.58) CTSDRENKLK5CTSBCTSK
SCHEMBL7324608 0.94 CTSD (0.57) CTSDRENKLK5CTSBCTSK
SCHEMBL7320103 0.94 CTSD (0.59) CTSDREN
SCHEMBL7332555 0.93 CTSD (0.58) CTSDRENBACE1
SCHEMBL7328076 0.91 CTSD (0.55) CTSDRENKLK5BACE1
SCHEMBL7328082 0.91 CTSD (0.55) CTSDRENKLK5BACE1
SCHEMBL7328968 0.90 CTSD (0.54) CTSDRENBACE1
SCHEMBL7321482 0.88 CTSD (0.65) CTSDRENKLK5BACE1
SCHEMBL7332534 0.88 CTSD (0.54) CTSDRENBACE1

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