SCHEMBL31064827

SCHEMBL31064827

C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
ACE P12821 1/20 0.33

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
SCHEMBL29374335 0.95 ACE (0.36) ACE
SCHEMBL21828612 0.95 ACE (0.36) ACE
SCHEMBL29849128 0.91 MME (0.36) ACE
SCHEMBL30035137 0.91 CTRB1 (0.34) ACE
SCHEMBL29973895 0.89 PSMB1 (0.35) BACE1
SCHEMBL29384990 0.89 ACE (0.38) ACE
SCHEMBL20397457 0.88 CTRB1 (0.33) ACE
SCHEMBL20397512 0.88 CTRB1 (0.33) ACE
SCHEMBL29630389 0.88 CTRB1 (0.33) ACE
SCHEMBL78174 0.88 ACE (0.36) ACE

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-118581102-A Corn aspergillus flavus resistance gene ZmAFR, expression product, excellent haplotype and application thereof in corn breeding 河南农业大学 2024-09-03 CN disclosed