SCHEMBL29828053

SCHEMBL29828053

O=C(CC(CCCc1ccccc1)c1ccccc1)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.67
▸ HDAC4 P56524 3/20 0.67
▸ HDAC1 Q13547 3/20 0.67
▸ HDAC7 Q8WUI4 3/20 0.67
▸ HDAC2 Q92769 3/20 0.67
▸ HDAC10 Q969S8 3/20 0.67
▸ HDAC11 Q96DB2 3/20 0.67
▸ HDAC8 Q9BY41 3/20 0.67
▸ HDAC6 Q9UBN7 3/20 0.67
▸ HDAC9 Q9UKV0 3/20 0.67
▸ HDAC5 Q9UQL6 3/20 0.67
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 1/20 0.51
▸ FNTA P49354 8/20 0.50
▸ FNTB P49356 8/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ EPHX2 P34913 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
SCHEMBL30805765 1.00 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9394251 0.82 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30805757 0.82 HDAC8 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828878 0.82 HDAC8 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8098572 0.82 GABBR2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30805750 0.81 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828246 0.81 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828250 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30805762 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29828867 0.80 HDAC3 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805108-A Preparation method of chiral beta-alkyl amide compound 南方科技大学 2022-07-29 — — CN disclosed
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