SCHEMBL27307116

SCHEMBL27307116

O=Nc1cccc(C2CCCCC2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ KMO O15229 1/20 0.49
▸ EPHX2 P34913 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ACMSD Q8TDX5 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ SERPINE1 P05121 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL27307115 0.91 HDAC4 (0.50) HDAC4HDAC2HDAC8KMOMDM2
SCHEMBL5667650 0.78 KMO (0.64) HDAC4HDAC2HDAC8KMOEPHX2
SCHEMBL669730 0.78 KMO (0.64) HDAC4HDAC2HDAC8KMOEPHX2
SCHEMBL26936966 0.77 KMO (0.53) HDAC4HDAC2HDAC8KMOEPHX2
SCHEMBL21471492 0.76 HDAC4 (0.96) HDAC4HDAC2HDAC8KMOEPHX2
SCHEMBL5666805 0.75 KMO (0.62) HDAC4HDAC2HDAC8KMOEPHX2
SCHEMBL778529 0.75 HDAC4 (0.63) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL21471491 0.74 HDAC4 (1.00) HDAC4HDAC2HDAC8KMOACMSD
Hydrogen Peroxide SCHEMBL11391460 0.73 KMO (0.71) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL21471547 0.72 HDAC4 (0.72) HDAC4HDAC2HDAC8KMOEPHX2

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-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 — — WO disclosed
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