SCHEMBL28349263

SCHEMBL28349263

O=c1cc(-c2cc(O)ccc2O)oc2cc(O)cc(O)c12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.83
TYR P14679 2/20 0.83
PTPN1 P18031 2/20 0.83
PTGS1 P23219 1/20 0.83
PTPN12 Q05209 1/20 0.83
PTPN22 Q9Y2R2 1/20 0.83
MEN1 O00255 8/20 0.74
KMT2A Q03164 8/20 0.74
MAPT P10636 6/20 0.74
CYP3A4 P08684 5/20 0.74
TP53 P04637 4/20 0.74
CYP2D6 P10635 4/20 0.74
CYP2C9 P11712 4/20 0.74
CYP2C19 P33261 4/20 0.74
MAPK1 P28482 3/20 0.74
NEU2 Q9Y3R4 1/20 0.74
ALDH1A1 P00352 6/20 0.68
HPGD P15428 5/20 0.68
POLH Q9Y253 5/20 0.68
ABCB1 P08183 5/20 0.68

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
Norartocarpetin SCHEMBL1546435 0.91 BACE1 (1.00) BACE1TYRPTPN1PTGS1PTPN12
Norartocarpetin SCHEMBL29435851 0.91 BACE1 (1.00) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL29424233 0.88 BACE1 (0.77) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL14464104 0.88 BACE1 (0.77) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL3708991 0.85 MEN1 (1.00) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL1524141 0.84 BACE1 (0.76) BACE1TYRPTPN1PTGS1PTPN12
SCHEMBL22738310 0.84 MEN1 (0.75) BACE1TYRPTPN1PTGS1PTPN12
Apigenin SCHEMBL19428 0.81 KMT2A (1.00) BACE1TYRPTPN1PTGS1PTPN12
Apigenin SCHEMBL29351464 0.81 KMT2A (1.00) BACE1TYRPTPN1PTGS1PTPN12
Apigenin SCHEMBL5083245 0.81 KMT2A (1.00) BACE1TYRPTPN1PTGS1PTPN12

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-110585310-A Method for extracting effective components from rush and application of effective components in treating toothache due to wind-fire evil 连江仁泽生物科技有限公司 2019-12-20 CN disclosed