SCHEMBL844639

SCHEMBL844639

CCOC(=O)OC1(OC(=O)Cc2c(C)cc(C)cc2C)CCN(OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
NLRP3 Q96P20 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL769209 0.83 MEN1 (0.37) MEN1KMT2AMAPK1L3MBTL1NLRP3
SCHEMBL9286903 0.80 FFAR4 (0.32) TSHR
SCHEMBL769203 0.79 MEN1 (0.32) MEN1KMT2AMAPK1
SCHEMBL769315 0.77 STS (0.36)
SCHEMBL782117 0.74 MEN1 (0.37) MEN1KMT2AMAPK1L3MBTL1NLRP3
SCHEMBL9286737 0.73 HDAC3 (0.34) MEN1KMT2AMAPK1L3MBTL1NLRP3
SCHEMBL782276 0.73 HDAC3 (0.35) MEN1KMT2AMAPK1L3MBTL1NLRP3
SCHEMBL12505897 0.73 MEN1 (0.34) MEN1KMT2AMAPK1L3MBTL1NLRP3
SCHEMBL19139584 0.72 KMT2A (0.34) MEN1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL782509 0.72 RAB9A (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432785-B1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
EP-2432785-A1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133337-A1 HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed