SCHEMBL29013151

SCHEMBL29013151

CCOS(=O)(=O)c1ccc(C)cc1C1CCN(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
MMP13 P45452 1/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28479502 0.84 JAK2 (0.41) KMT2AEPHX2MAPTDRD2DRD3
SCHEMBL28476786 0.81 KMT2A (0.40) KMT2AEPHX2LMNANPSR1MAPT
SCHEMBL9076971 0.78 EPHX2 (0.41) MEN1KMT2AEPHX2LMNANPSR1
SCHEMBL28704162 0.77 PTGDR2 (0.42) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL29260227 0.75 EPHX2 (0.45) EPHX2LMNA
SCHEMBL26672156 0.74 PTGDR2 (0.39) KMT2AEPHX2LMNANPSR1
SCHEMBL29013154 0.74 GPR119 (0.43) MEN1RAB9AKMT2AGPR119MMP13
SCHEMBL30981046 0.73 MMP13 (0.44) MEN1RAB9AKMT2ALMNAGPR119
SCHEMBL28421464 0.73 CYP1A2 (0.48) MEN1KMT2ALMNANPSR1MAPT
SCHEMBL3918082 0.73 ALDH1A1 (0.38) MEN1KMT2AEPHX2LMNAALDH1A1

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 4 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-117794936-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-03-29 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed