SCHEMBL28124394

SCHEMBL28124394

CCc1ccccc1NC(=O)CCl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
POLB P06746 2/20 0.57
ALDH1A1 P00352 6/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
BLM P54132 1/20 0.53
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL28252416 0.88 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10896420 0.87 ALDH1A1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9312836 0.86 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2635445 0.85 ALDH1A1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30810512 0.85 POLB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22173613 0.85 POLB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3022920 0.85 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27504485 0.84 ALDH1A1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
Ethane SCHEMBL27877979 0.84 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4011016 0.84 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ABLM

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-106518828-B Amides myricetin derivative, preparation method and application 贵州大学 2018-10-23 CN disclosed
CN-106518828-A Amides myricetin derivative and preparation method and application thereof 贵州大学 2017-03-22 CN disclosed