SCHEMBL20653124

SCHEMBL20653124

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.70
HDAC1 Q13547 4/20 0.70
PDE4B Q07343 1/20 0.69
KMT2A Q03164 1/20 0.63
MMP1 P03956 1/20 0.62
MAPT P10636 2/20 0.57
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PLK1 P53350 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 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
SCHEMBL7928294 0.97 HDAC8 (0.75) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL8115030 0.95 HDAC1 (0.78) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL4082864 0.88 PDE4B (0.86) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL31063953 0.86 HDAC8 (0.68) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL3171960 0.84 PDE4B (0.79) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL19043336 0.84 L3MBTL1 (0.60) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL9541227 0.83 PDE4B (0.73) HDAC8HDAC1PDE4BKMT2AMMP1
SCHEMBL1521117 0.83 HDAC8 (1.00) HDAC8HDAC1PDE4BMMP1HDAC3
SCHEMBL3383312 0.83 HDAC8 (1.00) HDAC8HDAC1PDE4BMMP1HDAC3
SCHEMBL99448 0.81 PDE4B (1.00) HDAC8HDAC1PDE4BKMT2AMMP1

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-2550965-B1 Ceramide derivatives for treating polycystic kidney disease GENZYME CORP (US) 2019-01-16 EP disclosed