SCHEMBL13833766

SCHEMBL13833766

COC(=O)CCn1cc(C)c(=O)n(Cc2ccc(Cn3c(=O)c(C)cn(CCC(=O)OC)c3=O)cc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
P2RX3 P56373 9/20 0.45
KAT2B Q92831 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL13833765 0.85 ALDH1A1 (0.41) MEN1KMT2AKAT2BKDM4EALDH1A1
SCHEMBL13833760 0.84 KAT2B (0.41) MEN1KMT2AKAT2BKDM4EALDH1A1
SCHEMBL22067844 0.75 L3MBTL1 (0.47) MEN1KMT2A
SCHEMBL13833770 0.73 MEN1 (0.54) MEN1KMT2A
SCHEMBL6283595 0.71 L3MBTL1 (0.50) MEN1KMT2AKDM4EALDH1A1
SCHEMBL7822161 0.71 L3MBTL1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL7830310 0.70 MEN1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL1223624 0.70 CNR1 (0.64) MEN1KMT2AKDM4EALDH1A1CNR1
SCHEMBL7959350 0.69 MEN1 (0.45) MEN1KMT2AALDH1A1CNR2
SCHEMBL7960027 0.69 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1

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