SCHEMBL30266809

SCHEMBL30266809

COc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
KDM4E B2RXH2 5/20 0.76
ALDH1A1 P00352 5/20 0.76
ESR1 P03372 3/20 0.76
ESR2 Q92731 3/20 0.76
POLB P06746 3/20 0.76
HPGD P15428 3/20 0.76
THRB P10828 2/20 0.76
RECQL P46063 2/20 0.76
BLM P54132 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
LMNA P02545 2/20 0.76
GAA P10253 2/20 0.76
MGAM O43451 1/20 0.76
NR1I2 O75469 1/20 0.76
GLA P06280 1/20 0.76
CSNK2A2 P19784 1/20 0.76
MAOA P21397 1/20 0.76

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
SCHEMBL4778019 1.00 MAPT (0.76) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL31302252 0.92 KDM4E (0.64) MAPTMEN1KMT2AKDM4EALDH1A1
Coumestrol SCHEMBL29453366 0.87 ESR2 (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
Coumestrol SCHEMBL22012 0.87 ESR2 (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29543775 0.87 MEN1 (0.65) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14177143 0.82 ESR1 (0.82) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5918258 0.82 MEN1 (0.68) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL26628193 0.80 MEN1 (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15870371 0.80 KDM4E (0.85) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL234819 0.80 KDM4E (0.85) MAPTMEN1KMT2AKDM4EALDH1A1

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
CN-115721671-A Method for extracting and separating effective components of liquorice root in full-industrial-chain cooperation manner 李玉山 2023-03-03 CN disclosed