SCHEMBL25840896

SCHEMBL25840896

CC(C)(C)OC(=O)N1CCOC=C1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NR1H2 P55055 2/20 0.33
KDM1A O60341 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
SETD7 Q8WTS6 1/20 0.31
BUB1 O43683 1/20 0.31
MAPK1 P28482 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
SCHEMBL19948978 0.80 USP30 (0.38) USP30USP2SMN1; SMN2ALDH1A1LMNA
SCHEMBL29334072 0.76 USP30 (0.38) USP30PRMT5WDR77AAK1MEN1
SCHEMBL31043149 0.75 USP30 (0.37) USP30ALDH1A1LMNAMAPTAAK1
SCHEMBL25317580 0.74 USP30 (0.35) USP30KDM1AAAK1BUB1
SCHEMBL24364813 0.72 USP30 (0.39) USP30KDM1AAAK1BUB1
SCHEMBL25037259 0.72 USP30 (0.39) USP30KDM1AAAK1BUB1
SCHEMBL29023102 0.71 USP30 (0.37) USP30USP2SMN1; SMN2NR1H2KDM1A
SCHEMBL512721 0.71 USP30 (0.38) USP30USP2SMN1; SMN2ALDH1A1LMNA
SCHEMBL22717694 0.71 NOTUM (0.41) USP30USP2SMN1; SMN2KDM1A
SCHEMBL30697901 0.71 USP30 (0.42) USP30ALDH1A1MAPTKDM1APRMT5

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed