SCHEMBL16806793

SCHEMBL16806793

O=C(/C=C/c1ccc(CNCCc2ccc3[nH]c4c(c3c2)CCCC4)cc1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.56
▸ HDAC6 Q9UBN7 11/20 0.56
▸ HDAC3 O15379 9/20 0.56
▸ HDAC4 P56524 9/20 0.56
▸ HDAC7 Q8WUI4 9/20 0.56
▸ HDAC2 Q92769 9/20 0.56
▸ HDAC10 Q969S8 9/20 0.56
▸ HDAC11 Q96DB2 9/20 0.56
▸ HDAC8 Q9BY41 9/20 0.56
▸ HDAC9 Q9UKV0 9/20 0.56
▸ HDAC5 Q9UQL6 9/20 0.56
▸ TET3 O43151 1/20 0.55
▸ BRD4 O60885 1/20 0.55
▸ FOXO1 Q12778 1/20 0.55
▸ TET2 Q6N021 1/20 0.55
▸ PIK3C3 Q8NEB9 1/20 0.55
▸ TET1 Q8NFU7 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ KCNH2 Q12809 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL16806938 0.99 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806646 0.92 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806923 0.91 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806852 0.90 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806888 0.88 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806886 0.88 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806840 0.87 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806642 0.87 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806855 0.86 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16806859 0.86 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7

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
WO-2015085860-A1 HETEROCYCLIC HYDROXAMIC ACID COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 广州康缔安生物科技有限公司 2015-06-18 — — WO disclosed
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