SCHEMBL4322389

SCHEMBL4322389

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.58
MME P08473 6/20 0.56
ACE P12821 3/20 0.55
CPA1 P15085 3/20 0.55
ACE2 Q9BYF1 3/20 0.55

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
SCHEMBL30051124 1.00 BACE1 (0.58) BACE1MMEACECPA1ACE2
SCHEMBL4322379 1.00 BACE1 (0.58) BACE1MMEACECPA1ACE2
Mdl-28170 SCHEMBL11370994 0.94 MME (0.61) MMEACECPA1ACE2
Mdl-28170 SCHEMBL30873029 0.94 MME (0.61) MMEACECPA1ACE2
Mdl-28170 SCHEMBL7335375 0.94 MME (0.61) MMEACECPA1ACE2
SCHEMBL29398027 0.93 BACE1 (0.62) BACE1MME
SCHEMBL30051551 0.92 MME (0.58) MMEACECPA1ACE2
SCHEMBL31005067 0.91 BACE1 (0.70) BACE1
SCHEMBL29877007 0.91 MME (0.55) BACE1MMEACECPA1ACE2
SCHEMBL31243913 0.90 BACE1 (0.67) BACE1

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
US-7619217-B2 High power laser induced acoustic desorption probe PURDUE RESEARCH FOUNDATION (US) 2009-11-17 US disclosed
US-20070295902-A1 High power laser induced acoustic desorption probe PURDUE RESEARCH FOUNDATION (US) 2007-12-27 US disclosed