SCHEMBL6411284

SCHEMBL6411284

COc1ccc(C(OCCOCc2ccc(C#Cc3cccc(C#Cc4ccc(COCCO)cc4)c3)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.42
FFAR1 O14842 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 2/20 0.39
APP P05067 4/20 0.38
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36

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
SCHEMBL2400336 0.80 SLC6A11 (0.46) SLC6A1SLC6A11
SCHEMBL6040158 0.80 SLC6A11 (0.46) SLC6A1SLC6A11
SCHEMBL2385290 0.80 SLC6A11 (0.46) SLC6A1SLC6A11
SCHEMBL13575115 0.80 SLC6A11 (0.46) SLC6A1SLC6A11
SCHEMBL16624614 0.79 PTGES (0.45) CHRM3FFAR1PTGESAPP
SCHEMBL16624601 0.78 APP (0.44) CHRM3APP
SCHEMBL17954305 0.78 APP (0.44) CHRM3APP
SCHEMBL6411289 0.76 FFAR1 (0.38) FFAR1TDP1L3MBTL1PTGESAPP
SCHEMBL2490410 0.75 SLC6A11 (0.50) SLC6A1SLC6A11
SCHEMBL992028 0.75 SLC6A11 (0.50) SLC6A1SLC6A11

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
WO-2005083084-A1 INTERCALATING TRIPLEX FORMING OLIGONUCLEOTIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2005-09-09 WO disclosed