SCHEMBL7972769

SCHEMBL7972769

CCOC(=O)c1ccc(OCCCCC2Cc3c(c(OC)c(OC)c(OC)c3OC)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TBXAS1 P24557 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
DHFR P00374 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL7972638 0.90 MAPT (0.55) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL7974351 0.86 TP53 (0.51) L3MBTL1TDP1GAAKMT2A
SCHEMBL7961494 0.86 MAPT (0.56) MAPTL3MBTL1TDP1ALDH1A1GAA
SCHEMBL7977603 0.84 L3MBTL1 (0.47) MAPTKCNH2HRH3L3MBTL1TDP1
SCHEMBL7971192 0.83 GPR119 (0.57) L3MBTL1TBXAS1ALDH1A1GAA
SCHEMBL7961401 0.82 TP53 (0.49) L3MBTL1ALDH1A1KMT2A
SCHEMBL7974462 0.82 MAPT (0.47) MAPTKCNH2HRH3L3MBTL1TDP1
SCHEMBL7971231 0.79 GPR119 (0.53) MAPTL3MBTL1TBXAS1ALDH1A1GAA
SCHEMBL7971292 0.78 HRH3 (0.41) HRH3L3MBTL1GAAKMT2A
SCHEMBL7961432 0.78 HPGD (0.54) MAPTHRH3L3MBTL1ALDH1A1GAA

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