SCHEMBL7974358

SCHEMBL7974358

COC1=C(OC)C(=O)C2=C(CC(CCCCCCCCNC(C)=O)C2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
PAOX Q6QHF9 3/20 0.38
MTNR1A P48039 8/20 0.38
NAMPT P43490 1/20 0.37
ADRA1A P35348 1/20 0.37
MTNR1B P49286 7/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NQO2 P16083 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
SCHEMBL7974714 0.84 MAPT (0.35) KDM4EMAPK1HIF1A
SCHEMBL7972860 0.81 KDM4E (0.46) KDM4EMAPK1HIF1APAOXMTNR1A
SCHEMBL7977162 0.77 NAAA (0.40)
SCHEMBL8291459 0.73 DRD3 (0.58) KDM4EMAPK1HIF1AMTNR1ANAMPT
SCHEMBL23471393 0.72 KDM4E (0.64) KDM4EMAPK1HIF1APAOXNAMPT
SCHEMBL23471410 0.70 KDM4E (0.60) KDM4EMAPK1HIF1APAOXNAMPT
SCHEMBL24115530 0.68 SIGMAR1 (0.59) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19731592 0.66 SIGMAR1 (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14739904 0.66 KDM4E (1.00) KDM4EMAPK1HIF1APAOXNAMPT
SCHEMBL1900654 0.66 KDM4E (1.00) KDM4EMAPK1HIF1APAOXNAMPT

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed