SCHEMBL30525166

SCHEMBL30525166

CC(=O)NC1=CCCC1.[N]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HSD17B10 Q99714 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL10427363 0.98
SCHEMBL6559546 0.92 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL16372323 0.87
SCHEMBL9484893 0.78
SCHEMBL9485550 0.78 HDAC2 (0.38) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL29269499 0.73 HDAC2 (0.62) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL11591159 0.73 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL11571284 0.73 ALDH1A1 (0.45) HDAC4HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL5932198 0.72 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL5932189 0.72 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149863-B ACCP purification system and method 重庆华峰化工有限公司 2023-08-01 CN disclosed