SCHEMBL7972863

SCHEMBL7972863

COc1c2c(c(OC)c(OC)c1OC)CCC(CCOc1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
LTA4H P09960 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.42
LSS P48449 1/20 0.41
KCNH2 Q12809 3/20 0.41
HRH1 P35367 1/20 0.41
NFE2L2 Q16236 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL7977073 0.84 SIGMAR1 (0.44) HRH3NFE2L2
SCHEMBL7973158 0.82 MEN1 (0.46) RAB9ANPC1MAPK1
SCHEMBL7972868 0.82 HRH3 (0.41) HRH3LTA4HNFE2L2
SCHEMBL7971414 0.80 PPARD (0.43) HRH3LSSNFE2L2
SCHEMBL7961186 0.76 HTR1A (0.43) LTA4H
SCHEMBL7974462 0.76 MAPT (0.47) HRH3RAB9AKCNH2HRH1
SCHEMBL16838748 0.71 NFE2L2 (0.56) NFE2L2
SCHEMBL4980425 0.71 TEAD1 (0.56) NFE2L2
SCHEMBL7322766 0.71 HRH3 (0.65) HRH3LTA4HRAB9ANPC1MAPK1
SCHEMBL7974787 0.70 TEAD1 (0.45) RAB9ANPC1NFE2L2

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