SCHEMBL7972860

SCHEMBL7972860

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCNC(C)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
PAOX Q6QHF9 3/20 0.40
ADRA1A P35348 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 8/20 0.38
MTNR1B P49286 7/20 0.38
NQO2 P16083 2/20 0.38
NAMPT P43490 1/20 0.36
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7961134 0.81 HCAR2 (0.31)
SCHEMBL7974358 0.81 KDM4E (0.43) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7972951 0.78 LMNA (0.39)
SCHEMBL7971215 0.76 ACHE (0.40) MEN1KMT2A
SCHEMBL23471393 0.74 KDM4E (0.64) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL23471410 0.72 KDM4E (0.60) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7961373 0.72 CA2 (0.33)
SCHEMBL8291459 0.72 DRD3 (0.58) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL24115530 0.70 SIGMAR1 (0.59) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7974359 0.70 TSHR (0.44) KDM4EMAPK1

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed