SCHEMBL4583546

SCHEMBL4583546

CC(C)(C)OC(=O)N[C@@H](COC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
APP P05067 4/20 0.54
SYK P43405 1/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
ACE P12821 1/20 0.49
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
KLK5 Q9Y337 2/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
PIN1 Q13526 1/20 0.47
CYP3A4 P08684 1/20 0.46
CTRB1 P17538 1/20 0.46

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
SCHEMBL4583537 1.00 ATM (0.66) ATMAPPSYKCTSLCTSS
SCHEMBL4583548 1.00 ATM (0.66) ATMAPPSYKCTSLCTSS
SCHEMBL7693886 0.87 ATM (0.65) ATMAPPSYKCTSLCTSS
SCHEMBL28168068 0.87 ATM (0.65) ATMAPPSYKCTSLCTSS
SCHEMBL6305322 0.86 ATM (0.64) ATMAPPSYKCTSLCTSS
SCHEMBL6305318 0.86 ATM (0.64) ATMAPPSYKCTSLCTSS
SCHEMBL7464882 0.86 ATM (0.64) ATMAPPSYKCTSLCTSS
SCHEMBL6305326 0.86 ATM (0.64) ATMAPPSYKCTSLCTSS
SCHEMBL18352601 0.85 ATM (0.62) ATMAPPSYKCTSLCTSS
SCHEMBL18353125 0.85 ATM (0.62) ATMAPPSYKCTSLCTSS

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
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed