SCHEMBL12581978

SCHEMBL12581978

COc1cc(OC(c2ccccc2)c2ccccc2)c(OC)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
DUSP3 P51452 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 4/20 0.46
MAPK1 P28482 3/20 0.46
THRB P10828 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ADORA2A P29274 2/20 0.46
FGB P02675 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46

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
SCHEMBL8996410 0.77 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8996244 0.76 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3277257 0.75 KMT2A (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9522230 0.72 MAPT (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11585912 0.71 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL23043842 0.71 MAPT (0.66) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11691658 0.71 MAPT (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
1,4-Dimethoxyanthraquinone SCHEMBL3417221 0.71 MAPT (1.00) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL496978 0.69 RAB9A (1.00) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7786089 0.69 RAB9A (0.87) MAPTALDH1A1MEN1KMT2AKDM4E

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-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 WO disclosed