SCHEMBL25344607

SCHEMBL25344607

CCN(CCCn1cnc2cccc(B3OC(C)(C)C(C)(C)O3)c21)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
AAK1 Q2M2I8 1/20 0.32
NLRP3 Q96P20 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL30568453 1.00 USP30 (0.35) USP30AAK1NLRP3BACE1BACE2
SCHEMBL25343527 0.93 USP30 (0.34) USP30AAK1
SCHEMBL30568534 0.93 USP30 (0.34) USP30AAK1
SCHEMBL30568503 0.91 USP30 (0.33) USP30AAK1
SCHEMBL25343953 0.91 USP30 (0.33) USP30AAK1
SCHEMBL25343304 0.91 USP30 (0.33) USP30BACE1BACE2
SCHEMBL30568672 0.91 USP30 (0.33) USP30BACE1BACE2
SCHEMBL25343427 0.90 USP30 (0.36) USP30AAK1BACE1BACE2
SCHEMBL30568626 0.90 USP30 (0.36) USP30AAK1BACE1BACE2
SCHEMBL25346349 0.87 USP30 (0.35) USP30

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
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed