SCHEMBL28446906

SCHEMBL28446906

O=CC(OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C(O)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 8/20 0.44
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 2/20 0.35
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL15142163 1.00 SERPINE1 (0.44) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL5664340 1.00 SERPINE1 (0.44) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL28447050 0.91 SERPINE1 (0.46) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL1137255 0.91 SERPINE1 (0.46) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL20578325 0.89 SERPINE1 (0.47) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL31485713 0.89 SERPINE1 (0.47) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL1159921 0.89 SERPINE1 (0.47) SERPINE1PTPN2PTPN1PTPN11POLB
Gallic Acid SCHEMBL10712693 0.88 POLB (0.36) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL17156389 0.88 SERPINE1 (0.46) SERPINE1PTPN2PTPN1PTPN11POLB
SCHEMBL28178896 0.88 SERPINE1 (0.46) SERPINE1PTPN2PTPN1PTPN11POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112375803-B Screening method of anti-inflammatory active component ethyl gallate in gallnut and application thereof 石河子大学 2024-05-07 CN disclosed
CN-115656353-A Method for detecting chemical components in peony flowers by UPLC-LTQ-Orbitrap-MS method 宿州学院 2023-01-31 CN disclosed
CN-105288096-B Medicine for treating whelk 上海资医堂生物科技有限公司 2021-04-02 CN disclosed
CN-112375803-A Screening method and application of anti-inflammatory active ingredient ethyl gallate in gallnut 石河子大学 2021-02-19 CN disclosed
CN-111574571-A Separation method and application of effective part of gallnut 石河子大学 2020-08-25 CN disclosed