SCHEMBL19683581

SCHEMBL19683581

CNCCC1(OC(C)=O)COc2c(OC(C)=O)ccc(C)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
MTNR1A P48039 3/20 0.32
PTPN1 P18031 2/20 0.31
ACHE P22303 1/20 0.30
INSR P06213 1/20 0.30
IGF1R P08069 1/20 0.30
GBA1 P04062 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
SCHEMBL19672683 0.72 PTPN1 (0.33) PTPN1
SCHEMBL20883322 0.70 SLC6A2 (0.34) KDM4ELMNA
SCHEMBL19683586 0.70 KDM4E (0.33) KDM4ELMNAMAPTTHRBMAPK1
SCHEMBL20883313 0.68 SLC6A2 (0.33) KDM4ELMNA
SCHEMBL19683685 0.67 KDM4E (0.39) KDM4EMAPTMTNR1APTPN1ACHE
SCHEMBL19672624 0.66 KDM4E (0.36) KDM4ELMNAMAPTTHRBMAPK1
SCHEMBL20683148 0.65 MET (0.32) KDM4EMAPTMAPK1
SCHEMBL25030327 0.59 HTR2A (0.42) KDM4ELMNAMAPTMTNR1APTPN1
SCHEMBL8348726 0.56 ADRB2 (0.71) KDM4ELMNAMAPTMAPK1ACHE
SCHEMBL6269458 0.56 PTPN1 (0.57) KDM4ELMNAMAPK1PTPN1ACHE

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