SCHEMBL17424533

SCHEMBL17424533

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.46
MME P08473 5/20 0.43
ENPEP Q07075 5/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
BACE1 P56817 1/20 0.39
ECE1 P42892 1/20 0.39
ACE P12821 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.37

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
SCHEMBL10053584 0.89 MME (0.50) GNPATMMEENPEPCA2CA4
SCHEMBL17424531 0.87 GNPAT (0.60) GNPATMMEENPEPCA2CA4
SCHEMBL29455696 0.85 GNPAT (0.48) GNPATMMEENPEPECE1
SCHEMBL29427564 0.85 GNPAT (0.48) GNPATMMEENPEPECE1
SCHEMBL17424530 0.85 CA2 (0.46) GNPATMMEENPEPCA2CA4
SCHEMBL29384981 0.81 ENPEP (0.44) GNPATMMEENPEPCA2CA4
SCHEMBL31064913 0.80 DPP4 (0.52) GNPATENPEPBACE1
SCHEMBL31412168 0.80 BACE1 (0.48) GNPATMMEENPEPBACE1
SCHEMBL30799494 0.80 GNPAT (0.52) GNPATMMEENPEPBACE1ACE
SCHEMBL30313441 0.80 BACE1 (0.43) GNPATMMEENPEPBACE1ECE1

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