SCHEMBL13786394

SCHEMBL13786394

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
TBXAS1 P24557 1/20 0.49
AKT1 P31749 1/20 0.44
NAAA Q02083 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 1/20 0.42
PTAFR P25105 1/20 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
SCHEMBL1231697 0.88 HDAC3 (0.70) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL13786392 0.86 LMNA (0.51) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1232790 0.82 TBXAS1 (0.55) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12672001 0.80 NAAA (0.67) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1233467 0.79 LMNA (0.54) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1233469 0.79 LMNA (0.54) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1233470 0.79 LMNA (0.54) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1231485 0.79 PTAFR (0.56) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1231486 0.79 PTAFR (0.56) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1232978 0.76 LMNA (0.57) LMNAHDAC3HDAC4HDAC1HDAC7

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