SCHEMBL16806743

SCHEMBL16806743

Cc1c(CCO)[nH]c2c(CCNCc3ccc(/C=C/C(=O)NO)cc3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.57
▸ HDAC2 Q92769 12/20 0.57
▸ HDAC6 Q9UBN7 12/20 0.57
▸ HDAC3 O15379 10/20 0.57
▸ HDAC4 P56524 10/20 0.57
▸ HDAC7 Q8WUI4 10/20 0.57
▸ HDAC8 Q9BY41 10/20 0.57
▸ HDAC9 Q9UKV0 10/20 0.57
▸ HDAC5 Q9UQL6 10/20 0.57
▸ HDAC10 Q969S8 9/20 0.57
▸ HDAC11 Q96DB2 9/20 0.57
▸ TET3 O43151 1/20 0.57
▸ BRD4 O60885 1/20 0.57
▸ FOXO1 Q12778 1/20 0.57
▸ TET2 Q6N021 1/20 0.57
▸ PIK3C3 Q8NEB9 1/20 0.57
▸ TET1 Q8NFU7 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ KCNH2 Q12809 4/20 0.56

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
SCHEMBL16806739 0.89 HDAC1 (0.63) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806636 0.87 HDAC1 (0.59) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806952 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806811 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806838 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806756 0.81 HDAC1 (0.66) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806765 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806663 0.80 HDAC1 (0.57) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806762 0.80 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16806971 0.79 HDAC1 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC4

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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