SCHEMBL25332686

SCHEMBL25332686

CC1(C)OB(c2ccc(C3COCCN3C(=O)O)c(Cl)c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ LPL P06858 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ FKBP1A P62942 1/20 0.30
▸ HPGD P15428 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
SCHEMBL25332179 0.91 LIPG (0.34) LIPGROCK1CCNCCDK8BACE1
SCHEMBL25331080 0.88 ROCK1 (0.41) LIPGROCK1BACE1P4HBLPL
SCHEMBL25331420 0.86 USP30 (0.43) AAK1BACE1USP30
SCHEMBL25329729 0.85 F2 (0.36) LIPGROCK1BACE1P4HBLPL
SCHEMBL25330758 0.83 BACE1 (0.39) LIPGCCNCCDK8BACE1P4HB
SCHEMBL25332741 0.78 MAPT (0.44) BACE1
SCHEMBL30545319 0.78 USP30 (0.41) AAK1BACE1USP30
SCHEMBL25332697 0.75 USP30 (0.40) ROCK1AAK1BACE1USP30
SCHEMBL876368 0.75 GSK3B (0.40) LIPGLPL
SCHEMBL27160187 0.74 HIF1A (0.34) LIPGROCK1P4HBLPLF2

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-2023139241-A1 HETEROCYCLIC COMPOUNDS AS UBIQUITIN SPECIFIC PROTEASE 7 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2023-07-27 — — WO disclosed
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