SCHEMBL30804672

SCHEMBL30804672

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.69
BACE2 Q9Y5Z0 4/20 0.69
CTSD P07339 2/20 0.67
NAALAD2 Q9Y3Q0 1/20 0.57
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
NPY4R P50391 1/20 0.56

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
SCHEMBL32667937 0.98 BACE1 (0.66) BACE1BACE2CTSDNAALAD2
SCHEMBL31022699 0.96 BACE1 (0.64) BACE1BACE2CTSDNAALAD2
SCHEMBL30905993 0.93 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL29641835 0.93 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL31603931 0.92 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL29384172 0.92 LTA4H (0.62) BACE1BACE2CTSD
SCHEMBL29827935 0.92 NAALAD2 (0.67) BACE1BACE2CTSDNAALAD2
SCHEMBL30659062 0.92 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL29895758 0.92 NPY4R (0.65) BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL38657669 0.91 BACE1 (0.59) BACE1BACE2CTSDNAALAD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117467671-A Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application 河南农业大学 2024-01-30 CN disclosed