SCHEMBL18756647

SCHEMBL18756647

CC(C)(C)OC(=O)NNC(=O)C1(O)C[C@@H](O)C[C@H](O)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 3/20 0.39
APLNR P35414 1/20 0.39
GLA P06280 1/20 0.38
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BTK Q06187 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 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
SCHEMBL19091349 0.84 MEN1 (0.46) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL18756246 0.80 MEN1 (0.45) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL284141 0.71 APLNR (0.55) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL2391753 0.68 MEN1 (0.44) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL31021338 0.68 BTK (0.45) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL19091087 0.67 GAA (0.43) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL17191703 0.67 MEN1 (0.43) MEN1MAPK1KMT2AGAACHRM2
SCHEMBL11525177 0.67 MEN1 (0.56) MEN1MAPK1KMT2AGAAAPLNR
SCHEMBL18756648 0.66 DGAT1 (0.38) MEN1KMT2A
SCHEMBL23038833 0.66 MEN1 (0.45) MEN1MAPK1KMT2AGAAAPLNR

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
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed