SCHEMBL28976701

SCHEMBL28976701

C=C1CC(=O)N(CC2CCOCC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.34
▸ CTSE P14091 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MTOR P42345 2/20 0.32
▸ RPTOR Q8N122 2/20 0.32
▸ MLST8 Q9BVC4 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PDE8B O95263 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
SCHEMBL28976670 0.70 HDAC1 (0.49) —
SCHEMBL28976674 0.70 HDAC1 (0.49) —
SCHEMBL6835923 0.69 MAPT (0.35) —
SCHEMBL30994722 0.69 CTSD (0.38) CTSDCTSEBACE1MTORRPTOR
SCHEMBL30685866 0.69 OPRM1 (0.46) —
SCHEMBL1054374 0.67 TRAP1 (0.52) CTSDCTSEBACE1MTORRPTOR
SCHEMBL2688471 0.67 CTSD (0.39) CTSDCTSEBACE1MTORRPTOR
SCHEMBL411262 0.66 F2 (0.40) —
SCHEMBL26797334 0.66 MAPT (0.41) —
SCHEMBL13864166 0.65 MAPT (0.43) —

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
CN-115703761-A Compound as WWP1 inhibitor and application thereof 首药控股(北京)股份有限公司 2023-02-17 — — CN disclosed
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