SCHEMBL28976871

SCHEMBL28976871

O=C1C=C(c2ccc(O)cc2)C(=O)N1CC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.43
CNR1 P21554 12/20 0.38
CNR2 P34972 12/20 0.38
RGS4 P49798 1/20 0.36
PIK3CA P42336 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
HTR6 P50406 1/20 0.35
FEN1 P39748 1/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
BACE1 P56817 1/20 0.34
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL28976813 0.87 LMNA (0.39) MTORCNR1CNR2RGS4PIK3CA
SCHEMBL28976862 0.87 RIPK3 (0.41) MTORCNR1CNR2RGS4PIK3CA
SCHEMBL28976755 0.86 RGS4 (0.44) CNR1CNR2RGS4CTSDCTSE
SCHEMBL28976869 0.84 EBP (0.46) CNR1CNR2BACE1
SCHEMBL28976895 0.84 BACE1 (0.51) CNR1CNR2RGS4HTR6CTSD
SCHEMBL28976612 0.84 CNR2 (0.40) CNR1CNR2RGS4BACE1
SCHEMBL30272737 0.82 CYP3A4 (0.38) MTORCNR1CNR2RGS4PIK3CA
SCHEMBL28976683 0.81 CTSD (0.33) MTORCNR1CNR2RGS4PIK3CA
SCHEMBL28976611 0.80 PRKDC (0.38) MTORCNR1CNR2RGS4PIK3CA
SCHEMBL28976620 0.80 NOTUM (0.37) MTORCNR1CNR2PIK3CARPTOR

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