SCHEMBL25341995

SCHEMBL25341995

CN(CCOCCn1cnc2cccc(B3OC(C)(C)C(C)(C)O3)c21)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PDK2 Q15119 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL30568630 1.00 USP30 (0.34) USP30MEN1POLBKMT2APDK2
SCHEMBL25343427 0.90 USP30 (0.36) USP30PDK2GBA1
SCHEMBL30568626 0.90 USP30 (0.36) USP30PDK2GBA1
SCHEMBL30568483 0.89 USP30 (0.35) USP30PDK2LMNAGBA1
SCHEMBL25346349 0.89 USP30 (0.35) USP30PDK2LMNAGBA1
SCHEMBL25344607 0.82 USP30 (0.35) USP30
SCHEMBL30568453 0.82 USP30 (0.35) USP30
SCHEMBL25343953 0.81 USP30 (0.33) USP30SMN1; SMN2
SCHEMBL30568503 0.81 USP30 (0.33) USP30SMN1; SMN2
SCHEMBL25343527 0.81 USP30 (0.34) 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