SCHEMBL20650683

SCHEMBL20650683

COc1ccc(C(OCC(CNC(C)=O)OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.42
HTR2A P28223 3/20 0.42
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
KIF11 P52732 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A1 P30531 1/20 0.37

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
SCHEMBL21297523 0.86 ASAH1 (0.43) ALDH1A1
SCHEMBL25707541 0.83 ASAH1 (0.40) CYP2D6HTR2AALDH1A1
SCHEMBL889842 0.82 MEN1 (0.38) CYP2D6HTR2AKIF11MEN1KMT2A
SCHEMBL18349844 0.82 CYP2D6 (0.42) CYP2D6HTR2AKIF11MEN1KMT2A
SCHEMBL23373405 0.81 ASAH1 (0.43) ALDH1A1
SCHEMBL13575130 0.79 PLA2G2A (0.44) CYP2D6HTR2ASLC6A1
SCHEMBL21297524 0.79 ASAH1 (0.41) ALDH1A1
SCHEMBL890352 0.78 ALDH1A1 (0.35) KIF11MEN1KMT2AALDH1A1TDP1
SCHEMBL22380805 0.77 SLC6A11 (0.44) CYP2D6HTR2AKIF11MEN1KMT2A
SCHEMBL20371106 0.77 ALDH1A1 (0.38) CYP2D6HTR2AKIF11MEN1KMT2A

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-2019011829-A1 IMPROVED PROCESS FOR PREPARING IMETELSTAT JANSSEN PHARMACEUTICA NV (BE) 2019-01-17 WO disclosed