SCHEMBL2569682

SCHEMBL2569682

COc1ccccc1CN1CC=C(CCC(=O)N(O)C(CC(=O)NO)C2=CCN(Cc3ccccc3OC)C2=O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.57
HDAC1 Q13547 13/20 0.57
HDAC2 Q92769 13/20 0.57
HDAC6 Q9UBN7 13/20 0.57
HDAC4 P56524 12/20 0.57
HDAC7 Q8WUI4 12/20 0.57
HDAC10 Q969S8 12/20 0.57
HDAC11 Q96DB2 12/20 0.57
HDAC8 Q9BY41 12/20 0.57
HDAC9 Q9UKV0 12/20 0.57
HDAC5 Q9UQL6 12/20 0.57
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2570863 0.85 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2566634 0.85 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2566167 0.84 HDAC1 (0.59) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2570854 0.83 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2567671 0.82 HDAC6 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2566704 0.81 HDAC2 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2569348 0.81 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2567670 0.81 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2569032 0.81 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL2565416 0.80 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC4

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-1626961-B1 NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RES INST OF BIOSCIENCE (KR) 2011-11-02 EP disclosed