SCHEMBL7928294

SCHEMBL7928294

CNC(=O)CCCCC(=O)c1ccc(OC)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.75
HDAC1 Q13547 6/20 0.75
PDE4B Q07343 1/20 0.64
MMP1 P03956 1/20 0.62
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.57
PLK1 P53350 1/20 0.54
NPC1 O15118 2/20 0.54

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
SCHEMBL8115030 0.98 HDAC1 (0.78) HDAC8HDAC1PDE4BMMP1LMNA
SCHEMBL20653124 0.97 HDAC8 (0.70) HDAC8HDAC1PDE4BMMP1LMNA
SCHEMBL3171960 0.88 PDE4B (0.79) HDAC8HDAC1PDE4BMMP1LMNA
SCHEMBL1521117 0.86 HDAC8 (1.00) HDAC8HDAC1PDE4BMMP1HDAC3
SCHEMBL3383312 0.86 HDAC8 (1.00) HDAC8HDAC1PDE4BMMP1HDAC3
SCHEMBL4082864 0.84 PDE4B (0.86) HDAC8HDAC1PDE4BMMP1ALDH1A1
SCHEMBL20653488 0.83 HDAC1 (0.54) HDAC8HDAC1PDE4BMMP1LMNA
SCHEMBL31063953 0.83 HDAC8 (0.68) HDAC8HDAC1PDE4BMMP1LMNA
SCHEMBL6160043 0.82 HDAC8 (0.72) HDAC8HDAC1PDE4BMMP1LMNA
SCHEMBL1521159 0.82 HDAC8 (0.91) HDAC8HDAC1PDE4BMMP1HDAC3

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-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed