SCHEMBL28675412

SCHEMBL28675412

CC(C)(C)OC(=O)COCCCCCOc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 7/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
GPR119 Q8TDV5 4/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PLA2G4A P47712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18282352 0.96 CA12 (0.43) PLA2G4BCA12CA1CA2CA9
SCHEMBL31410107 0.90 APP (0.48) CA12CA1CA2CA9GAA
SCHEMBL21348713 0.90 APP (0.48) CA12CA1CA2CA9GAA
SCHEMBL29334943 0.84 HDAC1 (0.41) PLA2G4BCA12CA1CA2CA9
SCHEMBL656934 0.84 PSEN1 (0.48) GAAL3MBTL1
SCHEMBL17940966 0.83 MAPT (0.57) PLA2G4BGPR119GAAPLA2G4AL3MBTL1
SCHEMBL7472706 0.82 HDAC8 (0.48) CA12CA1CA2CA9GAA
SCHEMBL28680418 0.82 MAPT (0.52) L3MBTL1
SCHEMBL5637807 0.81 HDAC1 (0.49) PLA2G4BHDAC1HDAC2L3MBTL1
SCHEMBL17940960 0.81 MAPT (0.59) CA1CA2GPR119GAAL3MBTL1

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-113735845-A Androgen receptor degradation agent and application thereof 梅德盛 2021-12-03 CN disclosed