SCHEMBL29190657

SCHEMBL29190657

[CH2]C=CC=Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
AHR P35869 1/20 0.48
FBP1 P09467 1/20 0.47
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.42
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.42
APP P05067 2/20 0.41
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL2622607 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11451994 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18417175 0.85 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL74363 0.82 AHR (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL74364 0.82 AHR (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28022158 0.80 AHR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9284031 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2622613 0.78 MAOB (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17390783 0.78 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8681654 0.78 AHR (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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-114621160-B Piperine oxime ester derivative, preparation and application 西北农林科技大学 2024-04-16 CN claimed
CN-114621160-B Piperine oxime ester derivative, preparation and application 西北农林科技大学 2024-04-16 CN disclosed