SCHEMBL8009858

SCHEMBL8009858

CCCCCC(Br)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.44
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CES2 O00748 1/20 0.37
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL721987 0.94 MEN1 (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL10926955 0.91 MEN1 (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL16860587 0.82 MEN1 (0.56) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11543099 0.81 MAPT (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7514889 0.79 MEN1 (0.56) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11070887 0.79 MEN1 (0.56) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11543425 0.78 KMT2A (0.42) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL183166 0.78 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL7506698 0.78 MEN1 (0.54) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL10871818 0.78 CYP4F2 (0.61) MEN1KMT2AMAPTATML3MBTL1

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-2000024358-A2 SYNTHESIS AND USES OF THIOPENTONE ENANTIOMERS THE UNIVERSITY OF SYDNEY (AU) 2000-05-04 WO disclosed