SCHEMBL29630664

SCHEMBL29630664

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.58
NAALAD2 Q9Y3Q0 1/20 0.54
BACE2 Q9Y5Z0 2/20 0.49
CTSD P07339 1/20 0.49
GNPAT O15228 1/20 0.49
FOLH1 Q04609 3/20 0.49

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
SCHEMBL30605192 0.94 BACE1 (0.55) BACE1NAALAD2BACE2CTSDGNPAT
SCHEMBL30605191 0.94 BACE1 (0.55) BACE1NAALAD2BACE2CTSDGNPAT
SCHEMBL30312137 0.92 BACE1 (0.64) BACE1NAALAD2BACE2CTSD
SCHEMBL29575648 0.92 NAALAD2 (0.56) BACE1NAALAD2BACE2CTSDGNPAT
SCHEMBL2108111 0.90 GNPAT (0.60) GNPAT
SCHEMBL1711756 0.90 GNPAT (0.60) GNPAT
SCHEMBL2108121 0.90 GNPAT (0.60) GNPAT
SCHEMBL1711761 0.90 GNPAT (0.60) GNPAT
SCHEMBL30385107 0.90 GNPAT (0.52) BACE1GNPAT
SCHEMBL31720970 0.88 BACE1 (0.65) BACE1NAALAD2BACE2CTSD

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed