SCHEMBL29630505

SCHEMBL29630505

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.58
CTSD P07339 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.53
GNPAT O15228 1/20 0.51
BACE2 Q9Y5Z0 1/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL29590787 0.99 BACE1 (0.60) BACE1CTSDNAALAD2GNPATBACE2
SCHEMBL30460370 0.97 BACE1 (0.60) BACE1CTSDNAALAD2BACE2
SCHEMBL29725302 0.93 BACE1 (0.54) BACE1CTSDGNPATMME
SCHEMBL29630600 0.93 BACE1 (0.55) BACE1CTSDNAALAD2GNPATBACE2
SCHEMBL31094953 0.93 NAALAD2 (0.60) BACE1CTSDNAALAD2GNPATBACE2
SCHEMBL30903437 0.92 BACE1 (0.51) BACE1CTSDNAALAD2GNPATMME
SCHEMBL29695561 0.92 BACE1 (0.65) BACE1CTSDNAALAD2BACE2
SCHEMBL29592259 0.92 BACE1 (0.61) BACE1CTSDNAALAD2BACE2
SCHEMBL31482978 0.92 BACE1 (0.52) BACE1CTSDNAALAD2GNPATMME
SCHEMBL29630438 0.92 BACE1 (0.52) BACE1CTSDNAALAD2GNPATMME

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