SCHEMBL29630475

SCHEMBL29630475

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.57
BACE2 Q9Y5Z0 4/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.56
MME P08473 1/20 0.56
CTSD P07339 1/20 0.55
MMP1 P03956 1/20 0.52
MMP8 P22894 1/20 0.52
GNPAT O15228 1/20 0.51
ENPEP Q07075 2/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL29802215 1.00 BACE1 (0.57) BACE1BACE2NAALAD2MMECTSD
SCHEMBL29469738 0.96 NAALAD2 (0.61) BACE1BACE2NAALAD2MMECTSD
SCHEMBL29630590 0.94 BACE1 (0.54) BACE1BACE2NAALAD2MMECTSD
SCHEMBL8821940 0.94 NAALAD2 (0.64) BACE1BACE2NAALAD2MMECTSD
SCHEMBL29592259 0.93 BACE1 (0.61) BACE1BACE2NAALAD2CTSDMMP1
SCHEMBL29892410 0.92 NAALAD2 (0.67) BACE1BACE2NAALAD2CTSDGNPAT
SCHEMBL29630435 0.91 MME (0.60) BACE1NAALAD2MMEGNPATENPEP
SCHEMBL29430082 0.91 MME (0.60) NAALAD2MMEGNPATENPEPLTA4H
SCHEMBL2980529 0.91 NAALAD2 (0.68) BACE1BACE2NAALAD2MME
SCHEMBL3748615 0.91 NAALAD2 (0.68) BACE1BACE2NAALAD2MME

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