SCHEMBL1980852

SCHEMBL1980852

COc1ccc(C)c(Oc2ccc(NC(=O)[C@](C)(NC(=O)O)C(C)(C)C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MTNR1B P49286 3/20 0.41
MTNR1A P48039 2/20 0.41
MET P08581 1/20 0.41
PGR P06401 2/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
AR P10275 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1979949 0.91 PDK1 (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL1980046 0.86 HTR2C (0.43) MEN1KMT2AGAARAB9ALMNA
SCHEMBL1980030 0.85 MTNR1B (0.61) PDK1PDK2PDK3PDK4MTNR1B
SCHEMBL1980442 0.80 MAPT (0.42) MEN1KMT2AHTTGAARAB9A
SCHEMBL1981045 0.76 MTNR1B (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL13832459 0.74 MTNR1B (0.52) MEN1KMT2AMTNR1BMTNR1AHTT
SCHEMBL1979299 0.74 MTNR1B (0.52) MEN1KMT2AMTNR1BMTNR1APGR
SCHEMBL1983453 0.73 ALDH1A1 (0.42) MEN1KMT2ARAB9ALMNAMAPT
SCHEMBL13720664 0.73 MTNR1B (0.46) MEN1KMT2AMTNR1BMTNR1APGR
SCHEMBL1978265 0.73 XIAP (0.58) MTNR1BMTNR1APGRHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509961-A1 IMIDAZOLIDINEDIONE DERIVATIVES Autifony Therapeutics Limited (GB) 2012-10-17 EP disclosed
WO-2011069951-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2011-06-16 WO disclosed