SCHEMBL29630600

SCHEMBL29630600

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.55
NAALAD2 Q9Y3Q0 1/20 0.54
CTSD P07339 1/20 0.50
PTPN1 P18031 2/20 0.49
GNPAT O15228 1/20 0.49
BACE2 Q9Y5Z0 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
SCHEMBL29366744 0.97 NAALAD2 (0.55) BACE1NAALAD2CTSDPTPN1GNPAT
SCHEMBL29630505 0.93 BACE1 (0.58) BACE1NAALAD2CTSDGNPATBACE2
SCHEMBL29590787 0.92 BACE1 (0.60) BACE1NAALAD2CTSDGNPATBACE2
SCHEMBL30567796 0.92 BACE1 (0.56) BACE1NAALAD2CTSDPTPN1BACE2
SCHEMBL31482978 0.92 BACE1 (0.52) BACE1NAALAD2CTSDGNPAT
SCHEMBL29630438 0.92 BACE1 (0.52) BACE1NAALAD2CTSDGNPAT
SCHEMBL30483779 0.92 NAALAD2 (0.64) BACE1NAALAD2CTSDPTPN1GNPAT
SCHEMBL30799809 0.91 PTPN1 (0.60) BACE1CTSDPTPN1BACE2
SCHEMBL30903437 0.90 BACE1 (0.51) BACE1NAALAD2CTSDGNPAT
SCHEMBL30460370 0.90 BACE1 (0.60) BACE1NAALAD2CTSDBACE2

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