SCHEMBL7330229

SCHEMBL7330229

CC(=O)[C@@H](NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.59
CTSS P25774 2/20 0.59
PSENEN Q9NZ42 1/20 0.48
PREP P48147 1/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
TRPA1 O75762 1/20 0.44
CYP2D6 P10635 1/20 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
SCHEMBL7324089 0.93 CTSK (0.57) CTSKCTSSPSENENPREPCA2
SCHEMBL10192146 0.93 CTSK (0.57) CTSKCTSSPSENENPREPCA2
SCHEMBL7324091 0.93 CTSK (0.57) CTSKCTSSPSENENPREPCA2
SCHEMBL7018649 0.86 CTSK (0.63) CTSKCTSSPSENENPREPCA2
SCHEMBL22371977 0.86 CTSK (0.63) CTSKCTSSPSENENPREPCA2
SCHEMBL15671593 0.86 CTSK (0.63) CTSKCTSSPSENENPREPCA2
SCHEMBL22371978 0.86 CTSK (0.63) CTSKCTSSPSENENPREPCA2
SCHEMBL22371979 0.86 CTSK (0.63) CTSKCTSSPSENENPREPCA2
SCHEMBL3087516 0.86 CTSK (0.63) CTSKCTSSPSENENPREPCA2
SCHEMBL30064660 0.86 CTSK (0.59) CTSKCTSSPSENENPREPCA2

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