SCHEMBL29630438

SCHEMBL29630438

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.52
GNPAT O15228 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.51
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSD P07339 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
SCHEMBL31482978 1.00 BACE1 (0.52) BACE1GNPATNAALAD2MMEECE1
SCHEMBL29590787 0.93 BACE1 (0.60) BACE1GNPATNAALAD2CTSD
SCHEMBL31593281 0.93 GNPAT (0.51) BACE1GNPATECE1
SCHEMBL29630600 0.92 BACE1 (0.55) BACE1GNPATNAALAD2CTSD
SCHEMBL29630505 0.92 BACE1 (0.58) BACE1GNPATNAALAD2MMEECE1
SCHEMBL29366744 0.91 NAALAD2 (0.55) BACE1GNPATNAALAD2MMECTSD
SCHEMBL30460370 0.91 BACE1 (0.60) BACE1NAALAD2CTSD
SCHEMBL30567796 0.91 BACE1 (0.56) BACE1NAALAD2MMECTSD
SCHEMBL30799651 0.90 BACE1 (0.62) BACE1CTSD
SCHEMBL31672252 0.90 GNPAT (0.54) BACE1GNPATNAALAD2MME

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