SCHEMBL19852

SCHEMBL19852

COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.63
HDAC3 O15379 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
PTPRC P08575 4/20 0.55
PTPN13 Q12923 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
SMYD3 Q9H7B4 2/20 0.49
BRD4 O60885 1/20 0.48
TLK2 Q86UE8 1/20 0.48
CTSL P07711 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44

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
SCHEMBL18302951 0.83 HDAC3 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL155039 0.83 SMYD3 (0.53) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL18302934 0.80 SMYD3 (0.68) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL28449768 0.80 HDAC3 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL29415336 0.80 HDAC3 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL19692129 0.80 HDAC3 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL153425 0.79 SMYD3 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL29642969 0.79 SMYD3 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL22006782 0.79 SMYD3 (0.54) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL16409770 0.79 HDAC3 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC2

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-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed