SCHEMBL28580994

SCHEMBL28580994

CC(C)(C)OC(=O)CCN.N=C=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
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
CYP1A2 P05177 1/20 0.31
STING1 Q86WV6 1/20 0.31
EPHX2 P34913 1/20 0.31
CTSK P43235 2/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL132540 0.89 HDAC1 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL535279 0.87 HDAC1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL949316 0.87 HDAC1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10456803 0.83 TDP1 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15653871 0.78 PAOX (0.47) HDAC1HDAC2HDAC8HDAC6CYP1A2
SCHEMBL28629856 0.77 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL648724 0.77 CYP1A2 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL179682 0.76 CYP1A2 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22832200 0.75 CYP1A2 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL901575 0.75 CYP1A2 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6

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-112824438-B Synthetic method of polyimide 湘潭大学 2022-05-17 CN disclosed
CN-112824438-A Novel synthesis method of polyimide 湘潭大学 2021-05-21 CN disclosed