SCHEMBL8991817

SCHEMBL8991817

O=C(C=Cc1cc(O)c(O)cc1NS(=O)(=O)c1ccccc1)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.59
HDAC8 Q9BY41 15/20 0.59
HDAC3 O15379 14/20 0.59
HDAC6 Q9UBN7 14/20 0.59
HDAC4 P56524 13/20 0.59
HDAC7 Q8WUI4 13/20 0.59
HDAC2 Q92769 13/20 0.59
HDAC10 Q969S8 13/20 0.59
HDAC11 Q96DB2 13/20 0.59
HDAC9 Q9UKV0 13/20 0.59
HDAC5 Q9UQL6 13/20 0.59
BRD4 O60885 1/20 0.54
ESR1 P03372 1/20 0.54
PTGS1 P23219 1/20 0.54
PDE4A P27815 1/20 0.54
PIK3CA P42336 1/20 0.54
HTR6 P50406 1/20 0.54
PDE4D Q08499 1/20 0.54
ASPH Q12797 1/20 0.54
GAA P10253 1/20 0.47

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
SCHEMBL8991816 1.00 HDAC1 (0.59) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769804 0.91 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769801 0.91 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL1403255 0.84 HDAC8 (0.64) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769981 0.83 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769988 0.83 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769418 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769598 0.76 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8769603 0.76 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC6HDAC4
SCHEMBL8770040 0.75 HDAC8 (0.56) HDAC1HDAC8HDAC3HDAC6HDAC4

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
US-5534654-A ANTITUMOR, ANTIINFLAMMATORY, INHIBITOR OF LYMPHOCYTE ADHESIVE FACTORS SHIONOGI & CO., LTD. (JP) 1996-07-09 US disclosed