SCHEMBL13833770

SCHEMBL13833770

CCOC(=O)CCn1cc(C)c(=O)n(CCCCn2c(=O)c(C)cn(CCC(=O)OCC)c2=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TNF P01375 17/20 0.52
LMNA P02545 1/20 0.48
CREBBP Q92793 1/20 0.45

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 0.87 ALDH1A1 (0.41) MEN1KMT2ATNF
SCHEMBL13833760 0.86 KAT2B (0.41) MEN1KMT2ATNF
SCHEMBL13833787 0.82 KDM4E (0.43) MEN1KMT2ACREBBP
SCHEMBL13833769 0.81 PDE4A (0.40) MEN1KMT2ATNFLMNA
SCHEMBL9120180 0.78 PDE4A (0.48) KMT2ATNFLMNA
SCHEMBL24666581 0.75 ALDH1A1 (0.48) MEN1KMT2ALMNA
SCHEMBL21695505 0.72 LMNA (0.74) KMT2ALMNACREBBP
SCHEMBL11210331 0.72 TNF (0.58) TNF
SCHEMBL8026931 0.72 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL11210438 0.71 TNF (0.52) MEN1KMT2ATNFLMNA

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