SCHEMBL8484707

SCHEMBL8484707

COc1cc(OC)c(C(=O)c2ccc(OC)c(OC)c2O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
PTPN1 P18031 1/20 0.42
TUBB4A P04350 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
SCHEMBL27713896 0.90 MAPT (0.76) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL18539352 0.83 CYP3A4 (0.64) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL93388 0.81 TDP1 (0.59) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL4821487 0.81 MAPT (0.63) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL7333834 0.81 MAPT (0.63) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL93336 0.79 MAPT (0.61) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL8175975 0.79 MAPT (0.56) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL4824810 0.78 MAPT (0.59) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL29405531 0.78 MAPT (0.73) MAPTTDP1KDM4EHPGDMAPK1
SCHEMBL335038 0.78 MAPT (0.73) MAPTTDP1KDM4EHPGDMAPK1

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-5981774-A PREPARING 3,5-DI(2,3-EPOXYPROPOXY)-1-HYDROXYXANTHONE BY REACTING 1,3,5-TRIMETHOXYXANTHONE WITH HYDROGEN IODIDE IN PHENOL WHEREBY 1,3,5-TRIHYDROXYXANTHONE IS OBTAINED, REACTING PRODUCT WITH EPICHLOROHYDRIN IN POTASSIUM HYDROXIDE NATIONAL SCIENCE COUNCIL (TW) 1999-11-09 US disclosed
US-5741813-A ADMINISTERING SUBSTITUTED XANTHONES NATIONAL SCIENCE COUNCIL (TW) 1998-04-21 US disclosed