SCHEMBL6411289

SCHEMBL6411289

COc1ccc(-c2cccc(COCCOCc3ccc(C#Cc4cccc(C#Cc5ccc(COCCO)cc5)c4)cc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
APP P05067 8/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
CD274 Q9NZQ7 3/20 0.35
PTGES O14684 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 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
SCHEMBL2495694 0.84 HDAC4 (0.43) FFAR1APPFFAR4CD274
SCHEMBL6411284 0.76 CHRM3 (0.42) FFAR1APPPTGESTDP1L3MBTL1
SCHEMBL430965 0.75 ABL1 (0.46) FFAR1APPFFAR4
SCHEMBL2489138 0.73 MAOB (0.40) FFAR1FFAR4CD274
SCHEMBL15532554 0.71 APP (0.57) APPTDP1L3MBTL1
SCHEMBL16093231 0.71 APP (0.57) APPTDP1L3MBTL1
SCHEMBL4741980 0.71 TDP1 (0.54) APPTDP1L3MBTL1
SCHEMBL2489493 0.68 HDAC4 (0.50) FFAR1APPFFAR4CD274
SCHEMBL6894911 0.67 MAPT (0.37) FFAR1FFAR4GAAL3MBTL1
SCHEMBL8499580 0.65 IDO1 (0.61) APPTDP1L3MBTL1

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