SCHEMBL29080281

SCHEMBL29080281

CC(C)(C)OC(=O)CSO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 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
SCHEMBL9784220 0.80 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL19403452 0.78 CCNB2 (0.36) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL8843809 0.78 CCNB2 (0.36) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL17119183 0.76 HDAC3 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2502740 0.76 CCNB2 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL9784216 0.76 CYP1A2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1845681 0.75 HTT (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL23145781 0.73 CCNB2 (0.34) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL12835064 0.73 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL23768567 0.73 CYP2C9 (0.40) CCNB2CCNE2CDK1CDK4CCNB1

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-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed