SCHEMBL28219841

SCHEMBL28219841

O=C[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.57
PTPN1 P18031 3/20 0.48
PTPN2 P17706 1/20 0.48
PTPN11 Q06124 1/20 0.48
ESR1 P03372 2/20 0.40
PRKCA P17252 1/20 0.40
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
TYR P14679 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3982817 1.00 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL15303745 0.91 SERPINE1 (0.58) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL28456939 0.89 SERPINE1 (0.56) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL17156389 0.87 SERPINE1 (0.46) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL28178896 0.87 SERPINE1 (0.46) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL20578289 0.87 SERPINE1 (0.55) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL3228891 0.87 SERPINE1 (0.55) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL6763222 0.84 SERPINE1 (0.56) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL20530411 0.82 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL28064168 0.82 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11ESR1

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-107596247-B Mongolian medicine for treating lung disease and its preparing process 内蒙古民族大学附属医院 2020-12-22 CN disclosed
CN-107981126-A A kind of ginseng fruit health-care beverage and preparation method thereof 唐东 2018-05-04 CN disclosed