SCHEMBL29013161

SCHEMBL29013161

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 4/20 0.40
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL29147480 0.98 CA2 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL27705382 0.92 CA2 (0.48) CA2MAPK1MEN1GAAKMT2A
SCHEMBL29147476 0.88 CA2 (0.44) CA2MAPK1MEN1GAAKMT2A
SCHEMBL29264683 0.87 CA2 (0.43) CA2MAPK1MEN1GAAKMT2A
SCHEMBL28722541 0.86 LTA4H (0.46) MEN1GAAKMT2ACA1ACE2
SCHEMBL28718237 0.86 KMT2A (0.39) CA2MEN1GAAKMT2ACA1
SCHEMBL30499378 0.85 ACE2 (0.45) CA2MAPK1MEN1GAAKMT2A
SCHEMBL5812132 0.82 CA1 (0.52) CA2CA1ACE2
SCHEMBL28560543 0.82 CA2 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL30475458 0.82 CA2 (0.54) CA2MAPK1MEN1GAAKMT2A

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