SCHEMBL8269262

SCHEMBL8269262

C=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1)c1cc(F)cc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.56
HDAC6 Q9UBN7 10/20 0.56
HDAC3 O15379 10/20 0.56
HDAC2 Q92769 10/20 0.50
HDAC8 Q9BY41 9/20 0.50
HDAC10 Q969S8 6/20 0.50
HDAC11 Q96DB2 6/20 0.50
HDAC5 Q9UQL6 6/20 0.50
ADAM17 P78536 1/20 0.50
HDAC4 P56524 6/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
EGFR P00533 1/20 0.49
BACE1 P56817 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
SCHEMBL1320535 0.84 HDAC6 (0.64) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1320536 0.84 HDAC6 (0.64) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12426309 0.78 HSD11B1 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL14244403 0.78 HSD11B1 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL14244352 0.71 HDAC4 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12425750 0.71 HDAC4 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3469142 0.71 HDAC2 (0.64) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL362072 0.70 ESR1 (0.61)
SCHEMBL1319893 0.70 SNCA (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1319897 0.70 SNCA (0.63) HDAC1HDAC6HDAC3HDAC2HDAC8

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
WO-2006037761-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2006-04-13 WO disclosed