SCHEMBL844100

SCHEMBL844100

O=C1Oc2ccc(CCO)cc2C1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX5 P09917 1/20 0.37
BACE1 P56817 1/20 0.37
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33

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
SCHEMBL2612461 0.85 GAA (0.66) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL10479277 0.83 GAA (0.59) GAAALDH1A1HPGDHSD17B10TDP1
SCHEMBL10372823 0.82 GAA (0.62) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL824539 0.81 GAA (0.57) GAAALDH1A1TDP1KDM4ECYP4F2
SCHEMBL10479316 0.81 GAA (0.57) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL2612438 0.80 GAA (0.50) GAAALDH1A1TDP1ALOX5FFAR1
SCHEMBL571262 0.78 GAA (0.68) GAAALDH1A1HPGDHSD17B10MAPT
SCHEMBL10479302 0.76 GAA (0.51) GAAALDH1A1HPGDMAPTMEN1
SCHEMBL2612459 0.75 GAA (0.64) GAAALDH1A1HPGDHSD17B10TDP1
SCHEMBL10481347 0.75 GAA (0.68) GAAALDH1A1HPGDHSD17B10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 US disclosed