SCHEMBL4753418

SCHEMBL4753418

CCC(C)C(OC(=O)C(C)OC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(=O)C(CC(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NC(CC(C)C)C(=O)CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.39
CTSB P07858 5/20 0.39
REN P00797 1/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMB5 P28074 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4753954 0.88 CTSL (0.41) CTSKCTSBCTSLCTSSHSP90AA1
SCHEMBL4751288 0.88 CTSK (0.44) CTSKCTSBRENCTSLCTSS
SCHEMBL4753911 0.87 CTSK (0.40) CTSKCTSBRENCTSLCTSS
SCHEMBL4753917 0.87 SYK (0.40) CTSKCTSBCTSLCTSSHSP90AA1
SCHEMBL4753912 0.87 CTSK (0.39) CTSKCTSBRENCTSLCTSS
SCHEMBL8107196 0.84 CTSK (0.47) CTSKCTSBRENCTSLCTSS
SCHEMBL4751645 0.84 CTSK (0.47) CTSKCTSBRENCTSLCTSS
SCHEMBL4751609 0.80 CTSL (0.41) CTSKCTSBCTSLCTSSHSP90AA1
SCHEMBL4751711 0.79 SYK (0.41) CTSKCTSBCTSLCTSSHSP90AA1
SCHEMBL8104698 0.73 CTSL (0.46) CTSKCTSBCTSLCTSSMEN1

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-2008151306-A1 SYNTHESIS OF CYCLODEPSIPEPTIDE COMPOUNDS HAVING ANTINEOPLASTIC AND/OR ANTIMICROBIAL ACTIVITY ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-12-11 WO disclosed