SCHEMBL7319644

SCHEMBL7319644

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 10/20 0.49
REN P00797 2/20 0.49
BACE1 P56817 3/20 0.44
KLK5 Q9Y337 1/20 0.40
ECE1 P42892 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
SCHEMBL7328959 1.00 CTSD (0.49) CTSDRENBACE1KLK5ECE1
SCHEMBL10377257 0.85 CTSD (0.39) CTSDRENBACE1ECE1
SCHEMBL7328082 0.81 CTSD (0.55) CTSDRENBACE1KLK5ECE1
SCHEMBL7328076 0.81 CTSD (0.55) CTSDRENBACE1KLK5ECE1
SCHEMBL7328595 0.80 CTSD (0.65) CTSDRENBACE1
SCHEMBL7328968 0.80 CTSD (0.54) CTSDRENBACE1ECE1
SCHEMBL7320103 0.78 CTSD (0.59) CTSDRENECE1
SCHEMBL7332555 0.78 CTSD (0.58) CTSDRENBACE1ECE1
SCHEMBL7327030 0.77 CTSD (0.61) CTSDRENBACE1
SCHEMBL10954138 0.77 ACE (0.45) ECE1

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