SCHEMBL2565416

SCHEMBL2565416

O=C(CC(C1=CCN(Cc2ccc(OCc3ccccc3)cc2)C1=O)N(O)C(=O)CCC1=CCN(Cc2ccc(OCc3ccccc3)cc2)C1=O)NO

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.45
HDAC3 O15379 13/20 0.45
HDAC2 Q92769 13/20 0.45
HDAC6 Q9UBN7 13/20 0.45
HDAC4 P56524 12/20 0.45
HDAC7 Q8WUI4 12/20 0.45
HDAC10 Q969S8 12/20 0.45
HDAC11 Q96DB2 12/20 0.45
HDAC8 Q9BY41 12/20 0.45
HDAC9 Q9UKV0 12/20 0.45
HDAC5 Q9UQL6 12/20 0.45
MMP13 P45452 1/20 0.42
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
CHRM4 P08173 1/20 0.37

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 0.92 HDAC3 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2566634 0.88 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2567670 0.86 HDAC3 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2569348 0.86 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2567671 0.85 HDAC6 (0.54) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2566704 0.84 HDAC2 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2567383 0.84 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2566167 0.83 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2569502 0.82 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2568556 0.82 HDAC1 (0.57) HDAC1HDAC3HDAC2HDAC6HDAC4

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