SCHEMBL30684922

SCHEMBL30684922

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 14/20 0.44
▸ EDNRA P25101 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ REN P00797 1/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CTSK P43235 3/20 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
SCHEMBL30684916 0.94 LNPEP (0.42) ANPEPLNPEP
SCHEMBL30658572 0.91 ERAP2 (0.40) —
SCHEMBL20397486 0.89 ANPEP (0.40) CTSDEDNRAANPEPLNPEPREN
SCHEMBL31318666 0.89 ENPEP (0.41) ANPEPLNPEP
SCHEMBL29641501 0.89 CTSD (0.44) CTSDEDNRAREN
SCHEMBL7163147 0.88 BACE1 (0.42) CTSDCTSB
SCHEMBL7163139 0.88 BACE1 (0.42) CTSDCTSB
SCHEMBL3750881 0.87 MME (0.41) —
SCHEMBL3750892 0.87 MME (0.41) —
SCHEMBL30670300 0.87 LNPEP (0.54) CTSDANPEPLNPEP

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-117264015-A Preparation method and application of umami peptide and pleurotus eryngii umami element 中国科学院天津工业生物技术研究所 2023-12-22 — — CN disclosed
Send feedback