SCHEMBL28697442

SCHEMBL28697442

CCCCOCC(=O)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
GSK3B P49841 1/20 0.54
MAPT P10636 2/20 0.54
PDE4B Q07343 1/20 0.53
ESR2 Q92731 1/20 0.53
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL28706742 0.95 TP53 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28707265 0.95 TP53 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28691919 0.95 TP53 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28933513 0.95 TP53 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28686349 0.95 TP53 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28691184 0.95 TP53 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7646419 0.92 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL18917595 0.88 L3MBTL1 (0.63) L3MBTL1
SCHEMBL28843419 0.87 GSK3B (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11323924 0.86 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7

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-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN claimed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN claimed
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN disclosed
CN-115040497-A Application of paeonol derivative in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-09-13 CN disclosed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN disclosed