SCHEMBL19683586

SCHEMBL19683586

CC(=O)OC[C@]1(CCNC#N)COc2c(OC(C)=O)ccc(C)c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
PRKCA P17252 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL19672624 0.73 KDM4E (0.36) KDM4ELMNAMAPTTHRBMAPK1
SCHEMBL19672646 0.71 PTPN1 (0.31)
SCHEMBL19683581 0.70 KDM4E (0.36) KDM4ELMNAMAPTTHRBMAPK1
SCHEMBL7948949 0.60 NPSR1 (0.71) KDM4ELMNAMAPTPRKCANPSR1
SCHEMBL2155909 0.59 PRKCA (0.37) PRKCA
SCHEMBL19820368 0.59 LMNA (0.39) KDM4ELMNAMAPTTHRBMAPK1
SCHEMBL7951783 0.58 NPSR1 (0.57) KDM4ELMNAMAPTMAPK1NPSR1
SCHEMBL2155925 0.57 CYP3A4 (0.39) PRKCA
SCHEMBL19683685 0.57 KDM4E (0.39) KDM4EMAPT
SCHEMBL2155281 0.55 MAPT (0.42) KDM4ELMNAMAPTPRKCA

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-2017207519-A1 PROCESS FOR OBTAINING 3,14-DIACETYLOXYMORPHONE FROM ORIPAVINE ALCALIBER INVESTIGACIÓN DESARROLLO E INNOVACIÓN, S.L. (ES) 2017-12-07 WO disclosed