SCHEMBL2332149

SCHEMBL2332149

COC(=O)OC1CC(C)(C)NC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.35
EZH2 Q15910 3/20 0.35
POLB P06746 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL18948188 0.81 GAA (0.35) MEN1KMT2APKML3MBTL1ATM
SCHEMBL17931345 0.81 GAA (0.35) MEN1KMT2APKML3MBTL1ATM
SCHEMBL17931105 0.81 MEN1 (0.36) MEN1KMT2APKML3MBTL1ATM
SCHEMBL2328773 0.81 GAA (0.40) MEN1KMT2APKML3MBTL1ATM
SCHEMBL2327565 0.81 ALDH1A1 (0.39) MEN1KMT2APKMGAAPOLB
SCHEMBL17931123 0.78 GAA (0.35) MEN1KMT2APKML3MBTL1ATM
SCHEMBL17931082 0.76 MEN1 (0.35) MEN1KMT2APKML3MBTL1ATM
SCHEMBL17931218 0.76 GAA (0.34) MEN1KMT2APKML3MBTL1ATM
SCHEMBL4552796 0.75 GAA (0.33) MEN1KMT2APKML3MBTL1ATM
SCHEMBL4552228 0.75 ALDH1A1 (0.33) MEN1KMT2APKML3MBTL1ATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP disclosed
EP-2007857-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2008-12-31 EP disclosed
EP-1904497-A1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2008-04-02 EP disclosed
WO-2007099059-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2007-09-07 WO disclosed
EP-1819678-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2007006717-A1 SUBSTITUTED RYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed
WO-2006058674-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
EP-0133674-B1 NITROXYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND DIAGNOSTIC AGENTS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-20 EP disclosed
EP-0133674-A1 Nitroxyl compounds, process for their preparation and diagnostic agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-06 EP disclosed