SCHEMBL13786392

SCHEMBL13786392

C=C(/C=C/C=C(c1ccccc1)c1ccccc1)NCCCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TBXAS1 P24557 1/20 0.46
PTAFR P25105 2/20 0.46
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
AKT1 P31749 1/20 0.44
ALDH1A1 P00352 2/20 0.41
NAAA Q02083 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL1231485 0.90 PTAFR (0.56) LMNATBXAS1PTAFRHDAC3HDAC4
SCHEMBL1231486 0.90 PTAFR (0.56) LMNATBXAS1PTAFRHDAC3HDAC4
SCHEMBL13786394 0.86 LMNA (0.54) LMNATBXAS1PTAFRHDAC3HDAC4
SCHEMBL13843880 0.85 HDAC8 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1231697 0.80 HDAC3 (0.70) LMNATBXAS1PTAFRHDAC3HDAC4
SCHEMBL1232790 0.79 TBXAS1 (0.55) LMNATBXAS1PTAFRHDAC3HDAC4
SCHEMBL12672001 0.77 NAAA (0.67) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL13843850 0.77 PTAFR (0.61) LMNAPTAFRHDAC3HDAC4HDAC1
SCHEMBL1232963 0.74 HDAC8 (0.73) PTAFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1233469 0.73 LMNA (0.54) LMNATBXAS1HDAC3HDAC4HDAC1

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-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed