SCHEMBL6836233

SCHEMBL6836233

CC(C)=NN.NNC(=O)CCCCC(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.50
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 3/20 0.44
KDM5C P41229 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL6836142 1.00 CTSD (0.50) CTSDALDH1A1GAAKDM4EKDM5C
Acetone SCHEMBL6392906 0.85 CTSD (0.59) CTSDALDH1A1GAAKDM4EKDM5C
Acetone SCHEMBL22554792 0.85 CTSD (0.59) CTSDALDH1A1GAAKDM4EKDM5C
SCHEMBL5606148 0.83 CTSD (0.56) CTSDALDH1A1GAAKDM4EKDM5C
Acetic Acid SCHEMBL6534753 0.83 CTSD (0.56) CTSDALDH1A1GAAKDM4EKDM5C
SCHEMBL28219205 0.83 ALDH1A1 (0.62) CTSDALDH1A1GAAKDM4EKDM5C
SCHEMBL49856 0.83 ALDH1A1 (0.62) CTSDALDH1A1GAAKDM4EKDM5C
SCHEMBL18177795 0.81 CTSD (0.54) CTSDALDH1A1GAAKDM4EKDM5C
SCHEMBL9909116 0.81 CTSD (0.45) CTSDALDH1A1GAAKDM4EKDM5C
SCHEMBL9007204 0.80 ALDH1A1 (0.60) CTSDALDH1A1GAAKDM4EKDM5C

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
US-6753363-B1 BASIC NITROGEN-CONTAINING COMPOUND, PHOSPHORUS COMPOUND FLAME RETARDANT, AND AROMATIC COMPOUND ACCELERATOR; MOLDABILITY POLYPLASTICS CO., LTD. (JP) 2004-06-22 US disclosed