SCHEMBL4186853

SCHEMBL4186853

CCC(C)(NC(=O)c1ccc(C(Cl)Cl)cc1)C(=O)CCl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
POLB P06746 2/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HTT P42858 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C9 P11712 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL287961 0.84 ALDH1A1 (0.49) HDAC6POLBHDAC1ALDH1A1MAPT
SCHEMBL8065593 0.83 ESRRG (0.45) HDAC8HDAC6POLBHDAC3HDAC1
SCHEMBL8058869 0.80 MAPT (0.59) HDAC6POLBHTTKDM4EALDH1A1
SCHEMBL8048504 0.78 HDAC3 (0.53) POLBHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL27943283 0.76 KDM4E (0.45) HDAC8POLBHTTKDM4EALDH1A1
SCHEMBL7530423 0.75 GRN (0.43) ALDH1A1MAPTRAB9AGAA
SCHEMBL8060073 0.75 ESR1 (0.40) HDAC3HDAC1HDAC2HTTALDH1A1
SCHEMBL7684116 0.74 ALDH1A1 (0.50) POLBHDAC1HTTKDM4EALDH1A1
Zoxamide SCHEMBL170285 0.73 LMNA (0.36) POLBHTTKDM4EALDH1A1MAPT
Zoxamide SCHEMBL7170744 0.73 LMNA (0.36) POLBHTTKDM4EALDH1A1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095242-A2 FUNGICIDAL MIXTURES AND COMPOSITIONS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI ISAGRO RICERCA S.R.L. (IT) 2009-08-06 WO claimed
EP-1912506-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.p.A. (IT) 2008-04-23 EP claimed
EP-1890545-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2008-02-27 EP claimed
WO-2007017220-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.P.A. (IT) 2007-02-15 WO claimed
WO-2006128677-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2006-12-07 WO claimed
WO-2009095242-A2 FUNGICIDAL MIXTURES AND COMPOSITIONS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI ISAGRO RICERCA S.R.L. (IT) 2009-08-06 WO disclosed
EP-1976826-A2 ORGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTOPATHOGENS ISAGRO S.p.A. (IT) 2008-10-08 EP disclosed
EP-1912506-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.p.A. (IT) 2008-04-23 EP disclosed
EP-1890545-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2008-02-27 EP disclosed
WO-2007071428-A2 ORAGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTO PATHOGENS ISAGRO S.P.A. (IT) 2007-06-28 WO disclosed
WO-2007017220-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.P.A. (IT) 2007-02-15 WO disclosed
WO-2006128677-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2006-12-07 WO disclosed