SCHEMBL4574060

SCHEMBL4574060

O=C1CCC=C(C2CCCCC2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
ESR2 Q92731 1/20 0.36
TLR4 O00206 1/20 0.34
KDM1A O60341 1/20 0.33
KMT2A Q03164 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
DAO P14920 1/20 0.32
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL30152429 0.94 MAPT (0.43) TRIM24TRIM33ALDH1A1MAPTESR2
SCHEMBL693557 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL216035 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL8361672 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL235344 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL8361882 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL5699292 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL1053630 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL20552191 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A
SCHEMBL123151 0.81 KDM1A (0.48) MAPTTLR4KDM1ARAB9AHIF1A

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-2008060767-A2 MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed