SCHEMBL17424544

SCHEMBL17424544

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.46
BACE2 Q9Y5Z0 1/20 0.43
GNPAT O15228 1/20 0.42
CTSD P07339 1/20 0.41
FOLH1 Q04609 3/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
RIMKLA Q8IXN7 1/20 0.41
CPA1 P15085 1/20 0.41
CPA2 P48052 1/20 0.41
CPA4 Q9UI42 1/20 0.41
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
ENPEP Q07075 5/20 0.40
SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL29695567 0.94 GNPAT (0.47) BACE1GNPATCTSDFOLH1NAALAD2
SCHEMBL16199305 0.90 FOLH1 (0.42) BACE1BACE2CTSDFOLH1NAALAD2
SCHEMBL29802309 0.89 FOLH1 (0.53) BACE1BACE2GNPATFOLH1NAALAD2
SCHEMBL6534663 0.87 GNPAT (0.54) BACE1BACE2GNPATCTSDCASP1
SCHEMBL7729169 0.87 SIRT5 (0.42) BACE1BACE2GNPATCTSDFOLH1
SCHEMBL16199302 0.86 BACE1 (0.42) BACE1CTSDFOLH1NAALAD2RIMKLA
SCHEMBL30483835 0.86 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL7735460 0.85 ALDH1A1 (0.42) BACE1GNPATCTSDCPA1CPA2
SCHEMBL7166591 0.85 GNPAT (0.48) BACE1BACE2GNPATCASP1CASP3
SCHEMBL2628233 0.84 BACE1 (0.44) BACE1BACE2CTSDFOLH1

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
US-9234003-B2 Palladium catalyzed reactions executed on solid-phase peptide synthesis supports for the production of self-assembling peptides embedded with complex organic electronic subunits THE JOHNS HOPKINS UNIVERSITY (US) 2016-01-12 US disclosed