SCHEMBL6069413

SCHEMBL6069413

COc1cc(C=O)c(-c2ccc(OCc3ccccc3)cc2C(C)=O)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
TUBB1 Q9H4B7 1/20 0.49
ERN1 O75460 2/20 0.47
BCHE P06276 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7383233 0.78 TUBB1 (0.55) MAOBTUBB1ERN1BCHEKDM4E
SCHEMBL6070482 0.77 TUBB1 (0.42) MAOBTUBB1ERN1MGAMGAA
SCHEMBL7282913 0.77 MAOB (0.68) MAOBMAOAMAPT
SCHEMBL5805630 0.76 TUBB1 (0.45) MAOBTUBB1ERN1BCHEMGAM
SCHEMBL2744173 0.75 KDM4E (0.52) ERN1GAAKDM4EMAPT
SCHEMBL10797158 0.74 MAOB (0.72) MAOBGAAMAOAKDM4EMAPT
SCHEMBL18533013 0.73 BCHE (0.48) MAOBTUBB1ERN1BCHEMGAM
SCHEMBL435043 0.73 ALDH1A1 (0.61) MAOBTUBB1ERN1MAOAKDM4E
SCHEMBL6035502 0.73 TUBB1 (0.72) MAOBTUBB1ERN1MEN1KMT2A
SCHEMBL3365964 0.72 MAPT (0.58) MAOBMEN1KMT2AKDM4EMAPT

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-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed