SCHEMBL11277291

SCHEMBL11277291

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)CC(CCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.61
CA2 P00918 1/20 0.57
CTSS P25774 5/20 0.55
CTSK P43235 4/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 1/20 0.55
APP P05067 3/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
REN P00797 1/20 0.49
KLK5 Q9Y337 1/20 0.49
AKT1 P31749 1/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL11275630 0.90 ACE (0.55) ACECA2CTSSCTSKCTSB
SCHEMBL7324443 0.90 ACE (0.67) ACECA2CTSSCTSKCTSB
SCHEMBL1790255 0.87 ACE (0.65) ACECA2CTSSCTSKCTSB
SCHEMBL7329244 0.82 ACE (0.67) ACECA2CTSSCTSKCTSB
SCHEMBL10376903 0.82 ACE (0.67) ACECA2CTSSCTSKCTSB
SCHEMBL7301113 0.81 ACE (0.65) ACECA2CTSSCTSKCTSB
Putrescine SCHEMBL28493581 0.81 ACE (0.69) ACECTSSCTSKCTSBCTSL
SCHEMBL795685 0.80 ACE (0.79) ACECTSSCTSKCTSBCTSL
SCHEMBL606309 0.80 ACE (0.79) ACECTSSCTSKCTSBCTSL
SCHEMBL21473784 0.80 ACE (0.79) ACECTSSCTSKCTSBCTSL

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
US-4316892-A 2,6-C-Dimethyltyrosine1 -D-amino acid2 -ε-amino caproic and γ aminobutyric acid5 derivatives of methionine enkephalin G. D. SEARLE & CO. (US) 1982-02-23 US disclosed