SCHEMBL27946121

SCHEMBL27946121

COc1cc(C(=O)c2ccccc2)c(O)cc1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.88
LMNA P02545 5/20 0.88
HPGD P15428 3/20 0.88
KDM4E B2RXH2 2/20 0.88
HSD17B10 Q99714 2/20 0.88
CYP3A4 P08684 1/20 0.88
RECQL P46063 1/20 0.88
KMT2A Q03164 5/20 0.65
ALDH1A1 P00352 2/20 0.65
HTT P42858 5/20 0.62
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
PGR P06401 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62
HRH1 P35367 1/20 0.62
SLC6A3 Q01959 1/20 0.62
PDE4D Q08499 1/20 0.62

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
Cearoin SCHEMBL4928735 0.93 MAPT (1.00) MAPTLMNAHPGDKDM4EHSD17B10
Cearoin SCHEMBL29874650 0.93 MAPT (1.00) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL9339940 0.92 MAPT (0.84) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL12082118 0.87 MAPT (0.77) MAPTLMNAHPGDKDM4EHSD17B10
Methane SCHEMBL28771418 0.86 LMNA (0.70) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL29229967 0.86 MAPT (0.70) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL2586221 0.86 LMNA (0.70) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL12082139 0.84 MAPT (0.73) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL812177 0.84 MAPT (0.73) MAPTLMNAHPGDKDM4EHSD17B10
SCHEMBL28771416 0.84 MAPT (0.68) MAPTLMNAHPGDKDM4EHSD17B10

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
CN-103396299-B Novel flavonoid compounds and application thereof in preparation of drug for resisting ischemic heart disease UNIV JIANGXI TRAD CHINESE MED 2015-06-24 CN disclosed
CN-103396299-A Novel flavonoid compounds and application thereof in preparation of drug for resisting ischemic heart disease UNIV JIANGXI TRAD CHINESE MED 2013-11-20 CN disclosed