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
SCHEMBL28976674 0.70 HDAC1 (0.49)
SCHEMBL28976670 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