SCHEMBL29134032

SCHEMBL29134032

CC(C)OC=NCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSK P43235 5/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL10635020 0.79 HCAR2 (0.30)
SCHEMBL10635018 0.79 HCAR2 (0.30)
SCHEMBL2152306 0.78 CYP2D6 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10549275 0.76 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10549280 0.76 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL363977 0.75 CYP2D6 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL362095 0.75 HDAC3 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2152321 0.74 CYP2D6 (0.33) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2152110 0.73 CYP2D6 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30265230 0.73 HDAC3 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836188-B Probe prodrug and probe for detecting OX-LDL and application of probe for detecting vascular atherosclerosis 南京大学 2025-05-06 CN claimed
CN-116836188-A Probe prodrug and probe for detecting OX-LDL and application of probe for detecting vascular atherosclerosis 南京大学 2023-10-03 CN claimed
CN-122079898-A Probe for detecting Ox-LDL and application thereof 2026-05-26 CN disclosed
CN-116836188-B Probe prodrug and probe for detecting OX-LDL and application of probe for detecting vascular atherosclerosis 南京大学 2025-05-06 CN disclosed
CN-116836188-A Probe prodrug and probe for detecting OX-LDL and application of probe for detecting vascular atherosclerosis 南京大学 2023-10-03 CN disclosed