SCHEMBL6058840

SCHEMBL6058840

Cc1cc(CC2(C)C(=O)OC(C)(C)OC2=O)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
PDPK1 O15530 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL6059794 0.78 LCK (0.36) USP30PDPK1MKNK2
SCHEMBL6058759 0.77 PDPK1 (0.35) USP30PDPK1MKNK2
SCHEMBL6058801 0.74 PDPK1 (0.35) USP30PDPK1MKNK2BACE1
SCHEMBL18359637 0.72 PDPK1 (0.36) USP30PDPK1MKNK2
SCHEMBL6059056 0.71 PDPK1 (0.34) USP30PDPK1MKNK2
SCHEMBL31268069 0.70 AAK1 (0.46) USP30PDPK1MKNK2BACE1
SCHEMBL30463735 0.70 PDPK1 (0.35) USP30PDPK1MKNK2
SCHEMBL1958367 0.70 AAK1 (0.46) USP30PDPK1MKNK2BACE1
SCHEMBL30463733 0.70 PDPK1 (0.35) USP30PDPK1MKNK2
SCHEMBL25670013 0.70 PDPK1 (0.35) USP30PDPK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed