SCHEMBL28328404

SCHEMBL28328404

C=CC1C=C2CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.46
PTPN1 P18031 2/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
Gentiopicroside SCHEMBL31387950 0.71 STAT3 (0.58) STAT3PTPN1MAPTMEN1KMT2A
Gentiopicroside SCHEMBL154304 0.71 STAT3 (0.58) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL29655354 0.67 STAT3 (0.54) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL30486432 0.67 STAT3 (0.53) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL28267368 0.65 STAT3 (0.72) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL8223173 0.62 PTPN1 (0.55) PTPN1MAPTMEN1KMT2AGAA
Trehalose SCHEMBL8407937 0.61 PTPN1 (0.52) STAT3PTPN1L3MBTL1KDM4E
Trehalose SCHEMBL25304700 0.61 MEN1 (0.57) PTPN1MAPTMEN1KMT2AGAA
Trehalose SCHEMBL156806 0.61 MEN1 (0.57) PTPN1MAPTMEN1KMT2AGAA
Trehalose SCHEMBL17072366 0.61 MEN1 (0.57) PTPN1MAPTMEN1KMT2AGAA

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-110448493-A A kind of rough gentian double factor antiallergic element and its preparation method and application GUANGZHOU JIANENG BIOTECHNOLOGY CO LTD 2019-11-15 CN disclosed