SCHEMBL28008322

SCHEMBL28008322

COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c(OC)c1CC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.59
▸ PDE4D Q08499 2/20 0.59
▸ PTPN1 P18031 8/20 0.57
▸ MGAM O43451 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ SI P14410 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ MGAM2 Q2M2H8 2/20 0.51
▸ BCHE P06276 1/20 0.51
▸ IDH1 O75874 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ FASN P49327 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ GLA P06280 1/20 0.50

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
Glycyrol SCHEMBL758197 0.92 ALOX5AP (0.65) ALOX5APPDE4DPTPN1MGAMGAA
Glycyrol SCHEMBL29499208 0.92 ALOX5AP (0.65) ALOX5APPDE4DPTPN1MGAMGAA
SCHEMBL758198 0.92 ALOX5AP (0.59) ALOX5APPDE4DPTPN1MGAMGAA
SCHEMBL3416379 0.79 MGAM (0.66) PDE4DPTPN1MGAMGAASI
Glycyrin SCHEMBL5327472 0.78 PTPN1 (0.75) PDE4DPTPN1MGAMGAASI
Glycyrin SCHEMBL29388094 0.78 PTPN1 (0.75) PDE4DPTPN1MGAMGAASI
SCHEMBL15383648 0.78 ESR1 (0.65) ALOX5APMGAMGAAKDM4EMEN1
SCHEMBL29497159 0.77 ALOX5AP (0.69) ALOX5APPDE4DPTPN1MGAMGAA
SCHEMBL15383650 0.77 ALOX5AP (0.69) ALOX5APPDE4DPTPN1MGAMGAA
SCHEMBL15941538 0.75 PDE4D (1.00) PDE4DPTPN1MGAMGAASI

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-105311046-A Composition for antiwrinkle, antiinflammatory and skin-whitening effect comprising liquiritin apioside COTDE INC 2016-02-10 — — CN disclosed
CN-104861015-A Synergistic clean extraction method of effective components in licorice root LI YUSHAN 2015-08-26 — — CN disclosed
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