SCHEMBL7974462

SCHEMBL7974462

CCOC(=O)c1ccc(OCCC2CCc3c(c(OC)c(OC)c(OC)c3OC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 1/20 0.42
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
LMNA P02545 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 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
SCHEMBL7973158 0.86 MEN1 (0.46) L3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL7974701 0.82 L3MBTL1 (0.47) MAPTKCNH2HRH3TDP1L3MBTL1
SCHEMBL7972769 0.82 MAPT (0.47) MAPTKCNH2HRH3TDP1L3MBTL1
SCHEMBL7317389 0.82 KCNH2 (0.56) MAPTKCNH2HRH3TDP1L3MBTL1
SCHEMBL944258 0.80 TDP1 (0.51) KCNH2HRH3TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9196956 0.79 TDP1 (0.50) KCNH2HRH3TDP1L3MBTL1
SCHEMBL7972868 0.78 HRH3 (0.41) HRH3
SCHEMBL7977073 0.78 SIGMAR1 (0.44) HRH3
SCHEMBL9381992 0.76 KCNH2 (0.50) MAPTKCNH2HRH3TDP1L3MBTL1
SCHEMBL9591899 0.76 TDP1 (0.52) MAPTKCNH2HRH3TDP1L3MBTL1

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