SCHEMBL29908950

SCHEMBL29908950

COC(=O)CCCCCCC(=O)Nc1ccc(CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
PTPRC P08575 2/20 0.45
PTPN13 Q12923 1/20 0.45
HDAC3 O15379 5/20 0.45
NCOR2 Q9Y618 1/20 0.45
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
GPR4 P46093 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL29908969 0.94 HDAC8 (0.57) HDAC8L3MBTL1HDAC3NCOR2HDAC4
SCHEMBL29908939 0.90 HDAC8 (0.47) HDAC8L3MBTL1HDAC3NCOR2HDAC4
SCHEMBL29908941 0.84 HDAC8 (0.50) HDAC8L3MBTL1HDAC3NCOR2HDAC4
SCHEMBL18392619 0.81 BCHE (0.43) HDAC8BCHEACHE
SCHEMBL17064257 0.79 HDAC8 (0.45) HDAC8L3MBTL1PTPRCPTPN13HDAC3
SCHEMBL1163649 0.79 NAMPT (0.55) HDAC8L3MBTL1PTPRCPTPN13HDAC3
SCHEMBL17260030 0.79 HDAC8 (0.45) HDAC8L3MBTL1HDAC3NCOR2HDAC4
SCHEMBL31415849 0.79 L3MBTL1 (0.55) HDAC8L3MBTL1PTPRCPTPN13HDAC3
SCHEMBL31635262 0.78 L3MBTL1 (0.69) HDAC8L3MBTL1PTPRCPTPN13HDAC3
SCHEMBL17064278 0.78 HDAC8 (0.43) HDAC8L3MBTL1PTPRCPTPN13HDAC3

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
EP-4054607-A1 SELECTIVE HDAC6 DEGRADERS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-09-14 EP disclosed