SCHEMBL7926895

SCHEMBL7926895

COC1(OC)COC2[C@H](C#N)CN(C(=O)[C@H](CC(C)C)NC(=O)c3ccc(-c4csc(N5CCN(C)CC5)n4)c(F)c3)[C@@H]21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.67
CTSS P25774 11/20 0.67
CTSL P07711 9/20 0.67
CTSB P07858 2/20 0.38

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
SCHEMBL11925983 0.95 CTSK (0.75) CTSKCTSSCTSLCTSB
SCHEMBL18966170 0.95 CTSK (0.75) CTSKCTSSCTSLCTSB
SCHEMBL21137231 0.95 CTSK (0.75) CTSKCTSSCTSLCTSB
SCHEMBL7929661 0.85 CTSK (0.88) CTSKCTSSCTSL
SCHEMBL11925974 0.85 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL21137230 0.85 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL21137229 0.85 CTSK (0.74) CTSKCTSSCTSLCTSB
SCHEMBL4725616 0.83 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL9909844 0.81 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL1147051 0.81 CTSK (1.00) CTSKCTSSCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034789-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-01 WO disclosed