SCHEMBL29413764

SCHEMBL29413764

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.47
▸ NOD1 Q9Y239 1/20 0.46
▸ CTSD P07339 4/20 0.46
▸ FOLH1 Q04609 3/20 0.46
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ PSMB5 P28074 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ TASP1 Q9H6P5 1/20 0.42

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
SCHEMBL30909390 0.92 FOLH1 (0.52) NOD1FOLH1TASP1
SCHEMBL29416042 0.91 NOD1 (0.46) BACE1NOD1CTSDFOLH1BACE2
SCHEMBL29365416 0.88 ALDH1A1 (0.49) BACE1CTSDFOLH1BACE2
SCHEMBL29590924 0.87 BACE1 (0.54) BACE1CTSDBACE2TASP1
SCHEMBL30193325 0.87 BACE1 (0.50) BACE1NOD1CTSDFOLH1BACE2
SCHEMBL8978213 0.87 FOLH1 (0.51) BACE1CTSDFOLH1BACE2
SCHEMBL31514359 0.85 BACE1 (0.55) BACE1CTSDFOLH1BACE2
SCHEMBL29531487 0.85 ALDH1A1 (0.51) FOLH1
SCHEMBL30423437 0.85 ALDH1A1 (0.51) FOLH1
SCHEMBL30050920 0.85 ALDH1A1 (0.51) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4203957-A2 INHIBITORS OF SARS COV-2 INFECTION AND USES THEREOF The Texas A&M University System (US) 2023-07-05 — — EP disclosed
WO-2022047054-A2 INHIBITORS OF SARS COV-2 INFECTION AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-03-03 — — WO disclosed
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