SCHEMBL7329720

SCHEMBL7329720

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.53
CTSK P43235 7/20 0.53
REN P00797 4/20 0.45
CTSD P07339 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL7333273 0.91 REN (0.44) CTSBCTSKRENCTSD
SCHEMBL7320456 0.90 REN (0.46) CTSBCTSKRENCTSD
SCHEMBL10378645 0.88 REN (0.44) CTSBCTSKRENCTSD
SCHEMBL7324603 0.83 CTSD (0.42) CTSBCTSKRENCTSD
SCHEMBL7330377 0.83 CTRB1 (0.43) CTSBCTSK
SCHEMBL7329730 0.81 CTSD (0.58) CTSBCTSKRENCTSDKLK5
SCHEMBL30601624 0.80 CYP3A4 (0.55) CTSBCTSKRENCTSD
SCHEMBL7324608 0.80 CTSD (0.57) CTSBCTSKRENCTSDKLK5
SCHEMBL30748713 0.79 CTSK (0.65) CTSBCTSKRENCTSDTRPM8
SCHEMBL7329209 0.79 CTSD (0.64) CTSBCTSKRENCTSDKLK5

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