SCHEMBL8738182

SCHEMBL8738182

Cc1ccc(OCc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
EZH2 Q15910 12/20 0.66
HSD17B10 Q99714 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.49

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
SCHEMBL8738171 0.87 EZH2 (0.74) EZH2GLAMEN1KMT2A
SCHEMBL8738237 0.85 EZH2 (0.81) EZH2GLAPOLBMEN1KMT2A
SCHEMBL8738149 0.84 EZH2 (0.76) EZH2HSD17B10GLAPOLBMEN1
SCHEMBL6121036 0.83 EZH2 (0.78) EZH2HSD17B10GLAPOLBMEN1
SCHEMBL8738688 0.83 EZH2 (0.69) EZH2GLAMEN1KMT2A
SCHEMBL8738308 0.82 EZH2 (0.73) EZH2HSD17B10GLAPOLBMEN1
SCHEMBL8738184 0.82 EZH2 (0.72) EZH2GLAPOLBMEN1KMT2A
SCHEMBL8739262 0.81 EZH2 (0.66) HTTEZH2HSD17B10GLAPOLB
SCHEMBL8738586 0.80 EZH2 (0.73) EZH2
SCHEMBL8738997 0.79 EZH2 (1.00) EZH2POLBMEN1KMT2A

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-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed