SCHEMBL29013172

SCHEMBL29013172

CCC(CCC(C)C(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PSENEN Q9NZ42 1/20 0.34
BIRC2 Q13490 2/20 0.33
CTSK P43235 2/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA7 P43166 1/20 0.33
DGAT1 O75907 1/20 0.32
NOS1 P29475 2/20 0.32
CTSS P25774 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 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
SCHEMBL27975121 0.86 CA1 (0.51) CA1CA2GAAKMT2AMEN1
SCHEMBL28507827 0.86 CA1 (0.62) CA1CA2CA14KMT2ABIRC2
SCHEMBL30475458 0.85 CA2 (0.54) CA1CA2CA12CA14GAA
SCHEMBL28610755 0.85 CA1 (0.49) CA1CA2CA12CA14GAA
SCHEMBL27705382 0.85 CA2 (0.48) CA1CA2GAAKMT2AMEN1
SCHEMBL27933679 0.84 CA2 (0.53) CA1CA2CA12CA14GAA
SCHEMBL27622585 0.83 CA2 (0.61) CA1CA2CA12CA14GAA
SCHEMBL29147476 0.81 CA2 (0.44) CA1CA2GAAKMT2AMEN1
SCHEMBL21052458 0.80 CA2 (0.75) CA1CA2GAAKMT2ABIRC2
SCHEMBL29282254 0.79 HDAC1 (0.38) CA1CA2GAAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed