SCHEMBL13833765

SCHEMBL13833765

COC(=O)CCn1cc(C)c(=O)n(CCCCn2c(=O)c(C)cn(CCC(=O)OC)c2=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KAT2B Q92831 6/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
DYRK1A Q13627 1/20 0.36

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
SCHEMBL13833760 0.99 KAT2B (0.41) ALDH1A1MEN1KMT2AKAT2BKDM4E
SCHEMBL13833770 0.87 MEN1 (0.54) MEN1KMT2ATNF
SCHEMBL13833766 0.85 MEN1 (0.55) ALDH1A1MEN1KMT2AKAT2BKDM4E
SCHEMBL13833787 0.84 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13833769 0.82 PDE4A (0.40) MEN1KMT2AKDM4ETNFCNR2
SCHEMBL9120180 0.79 PDE4A (0.48) KMT2ATNFCNR1CNR2TP53
SCHEMBL14185053 0.77 KMT2A (0.46) ALDH1A1MEN1KMT2AKAT2BKDM4E
SCHEMBL8026931 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL28651448 0.73 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AKAT2BKDM4E
SCHEMBL2153546 0.72 LMNA (0.56)

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-2012149604-A1 BIS-THYMINE DERIVATIVES AND PHOTO-REVERSIBLE POLYMERS THEREOF MONASH UNIVERSITY (AU) 2012-11-08 WO disclosed