SCHEMBL2566167

SCHEMBL2566167

COc1cccc(CN2CC=C(CCC(=O)N(O)C(CC(=O)NO)C3=CCN(Cc4cccc(OC)c4)C3=O)C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.59
HDAC6 Q9UBN7 14/20 0.59
HDAC3 O15379 13/20 0.59
HDAC2 Q92769 13/20 0.59
HDAC7 Q8WUI4 13/20 0.59
HDAC4 P56524 12/20 0.59
HDAC10 Q969S8 12/20 0.59
HDAC11 Q96DB2 12/20 0.59
HDAC8 Q9BY41 12/20 0.59
HDAC9 Q9UKV0 12/20 0.59
HDAC5 Q9UQL6 12/20 0.59
PKM P14618 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CMA1 P23946 1/20 0.36
BMP1 P13497 1/20 0.36

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
SCHEMBL2566634 0.90 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2569032 0.89 HDAC3 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2570863 0.87 HDAC3 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2567671 0.84 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2569682 0.84 HDAC3 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2570801 0.83 HDAC1 (0.83) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2565416 0.83 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2569348 0.83 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2567670 0.83 HDAC3 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC7
SCHEMBL2566704 0.81 HDAC2 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC7

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