Glycyrrhizin

Glycyrrhizin

SCHEMBL18768586

CC1(C)C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)C2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 12/20 1.00
▸ HSD11B2 P80365 11/20 1.00
▸ SLCO1B3 Q9NPD5 2/20 1.00
▸ SLCO1B1 Q9Y6L6 2/20 1.00
▸ HMGB1 P09429 1/20 1.00
▸ LMNA P02545 2/20 0.71
▸ CES2 O00748 3/20 0.65
▸ CES1 P23141 3/20 0.65
▸ HSD17B1 P14061 1/20 0.65
▸ HSD17B2 P37059 1/20 0.65
▸ PTPN1 P18031 4/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ AKR1B10 O60218 1/20 0.63
▸ ALOX5 P09917 1/20 0.63
▸ PRKCH P24723 1/20 0.63
▸ PTPN6 P29350 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ PTPN11 Q06124 1/20 0.63

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
Isoglycirrhizinate SCHEMBL10065729 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL14551740 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL14733579 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL21424347 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL24626512 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL14514293 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL23309804 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL23747025 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL22200125 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1
Glycyrrhizin SCHEMBL14514292 1.00 HSD11B1 (1.00) HSD11B1HSD11B2SLCO1B3SLCO1B1HMGB1

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
WO-2017066787-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME LEBEDYEVA IRYNA O (US) 2017-04-20 — — WO disclosed
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