SCHEMBL7397884

SCHEMBL7397884

CNC(=O)C(=O)CCCCCCNC(=O)Nc1ccccc1.N=C=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.62
HDAC2 Q92769 10/20 0.62
HDAC8 Q9BY41 6/20 0.62
HDAC6 Q9UBN7 6/20 0.62
HDAC3 O15379 5/20 0.62
HDAC4 P56524 5/20 0.62
HDAC7 Q8WUI4 5/20 0.62
HDAC10 Q969S8 5/20 0.62
HDAC11 Q96DB2 5/20 0.62
HDAC9 Q9UKV0 5/20 0.62
HDAC5 Q9UQL6 5/20 0.62
EPHX1 P07099 5/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.57
GHSR Q92847 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL7373503 0.94 HDAC1 (0.70) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7398744 0.89 ALDH1A1 (0.49) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7400935 0.88 CNR1 (0.50) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7399200 0.86 ALDH1A1 (0.47) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7393732 0.85 PKM (0.58) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7398717 0.84 MEN1 (0.48) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7373364 0.83 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7367523 0.82 ALDH1A1 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7400613 0.82 HDAC1 (0.46) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7368807 0.81 CNR1 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3

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-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed