SCHEMBL8732802

SCHEMBL8732802

[c]1cccc(-c2ccccc2OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGER1 P34995 6/20 0.46
IDO1 P14902 1/20 0.46
BRD4 O60885 4/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
LIPE Q05469 1/20 0.42
MCL1 Q07820 1/20 0.42
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL10798688 0.88 PTGER1 (0.42) MAPTMAPK1TDP1L3MBTL1PTGER1
SCHEMBL1190605 0.86 MAPT (0.52) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL7466776 0.83 GSTP1 (0.42) MAPTMAPK1TDP1L3MBTL1PTGER1
SCHEMBL8079401 0.83 PTGER1 (0.49) MAPTMAPK1TDP1L3MBTL1PTGER1
SCHEMBL26013299 0.82 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1PTGER1
SCHEMBL3731514 0.79 BRD4 (0.48) MAPTMAPK1TDP1L3MBTL1PTGER1
SCHEMBL1119402 0.79 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL3767201 0.79 HTR1A (0.49) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL27880493 0.77 LTA4H (0.39) L3MBTL1BRD4LTA4HMAPK14SGMS2
SCHEMBL7455789 0.77 RXRA (0.43) MAPTL3MBTL1PTGER1RXRARXRB

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-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed