SCHEMBL5135071

SCHEMBL5135071

CC(C)(C)OC(=O)C(C(=O)O)C1CNC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPT P10636 4/20 0.30
POLB P06746 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL3019017 0.89 CPN1 (0.36) SLC6A4SLC6A3CPN1CPB2
SCHEMBL29120582 0.89 CPN1 (0.36) SLC6A4SLC6A3CPN1CPB2
SCHEMBL4272078 0.86 CPN1 (0.47) KMT2AMAPTCPN1CPB2MAPK1
SCHEMBL27192552 0.85 CHRM2 (0.33) KMT2AMEN1GAACTSSCTSK
SCHEMBL1129311 0.84 CPN1 (0.41) SLC6A4SLC6A3CPN1CPB2
SCHEMBL27799064 0.80 GAA (0.40) KMT2AMEN1GAANPSR1CTSS
SCHEMBL1634930 0.80 GAA (0.40) KMT2AMEN1GAANPSR1CTSS
SCHEMBL4436455 0.79 GAA (0.32) GAA
SCHEMBL4436452 0.79
SCHEMBL29418054 0.79 BTK (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed