SCHEMBL11983263

SCHEMBL11983263

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
APP P05067 4/20 0.48
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
SYK P43405 1/20 0.45
ACE P12821 1/20 0.44
AKT1 P31749 2/20 0.44
KLK5 Q9Y337 1/20 0.42
CYP3A4 P08684 3/20 0.42
BACE1 P56817 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL2736212 0.93 ATM (0.53) ATMAPPCTSSCTSKCTSL
SCHEMBL20470382 0.89 ATM (0.56) ATMAPPCTSSCTSKCTSL
SCHEMBL15159951 0.85 ATM (0.73) ATMAPPCTSSCTSKCTSL
SCHEMBL27459831 0.81 BACE1 (0.48) ATMCTSSCTSKCTSLCTSB
SCHEMBL4973190 0.81 BACE1 (0.48) ATMCTSSCTSKCTSLCTSB
SCHEMBL15424011 0.79 ATM (0.65) ATMAPPCTSSCTSKCTSL
SCHEMBL2736210 0.79 ATM (0.65) ATMAPPCTSSCTSKCTSL
SCHEMBL13999332 0.79 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL1845669 0.79 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL4901020 0.79 ATM (0.68) ATMAPPCTSSCTSKCTSL

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
EP-2487165-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed