SCHEMBL2566634

SCHEMBL2566634

COc1ccc(CN2CC=C(CCC(=O)N(O)C(CC(=O)NO)C3=CCN(Cc4ccc(OC)cc4)C3=O)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.56
HDAC6 Q9UBN7 15/20 0.56
HDAC3 O15379 14/20 0.56
HDAC2 Q92769 14/20 0.56
HDAC4 P56524 13/20 0.56
HDAC7 Q8WUI4 13/20 0.56
HDAC10 Q969S8 13/20 0.56
HDAC11 Q96DB2 13/20 0.56
HDAC8 Q9BY41 13/20 0.56
HDAC9 Q9UKV0 13/20 0.56
HDAC5 Q9UQL6 13/20 0.56
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2567671 0.90 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2566167 0.90 HDAC1 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2567670 0.89 HDAC3 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2569348 0.89 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2570863 0.88 HDAC3 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2565416 0.88 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2568556 0.85 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2569682 0.85 HDAC3 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2569032 0.84 HDAC3 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2565117 0.82 HDAC6 (0.80) HDAC1HDAC6HDAC3HDAC2HDAC4

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