Thunberginol E

Thunberginol E

SCHEMBL23699014

COc1ccc(C2Cc3cc(O)cc(O)c3C(=O)O2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.68
CYP1A1 P04798 4/20 0.68
CYP1A2 P05177 4/20 0.68
CYP1B1 Q16678 4/20 0.68
TP53 P04637 3/20 0.68
CYP3A4 P08684 3/20 0.68
XDH P47989 2/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 2/20 0.68
PKM P14618 2/20 0.68
CA12 O43570 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CA4 P22748 2/20 0.68
MAPK1 P28482 2/20 0.68
CYP2C19 P33261 2/20 0.68
CA7 P43166 2/20 0.68
HSD17B10 Q99714 2/20 0.68
KDM1A O60341 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NPC1 O15118 1/20 0.68

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
Thunberginol E SCHEMBL29366907 1.00 CYP19A1 (0.68) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Phyllodulcin SCHEMBL12205057 0.87 CYP19A1 (0.57) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Phyllodulcin SCHEMBL30460064 0.87 CYP19A1 (0.57) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Phyllodulcin SCHEMBL30401623 0.87 CYP19A1 (0.57) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Phyllodulcin SCHEMBL92727 0.87 CYP19A1 (0.57) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Phyllodulcin SCHEMBL12205058 0.87 CYP19A1 (0.57) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Thunberginol C SCHEMBL23067798 0.82 CYP19A1 (0.62) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Phyllodulcin SCHEMBL1505793 0.81 CYP19A1 (0.51) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Hesperetin SCHEMBL765368 0.81 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1TP53
Hesperetin SCHEMBL20929082 0.81 CYP19A1 (1.00) CYP19A1CYP1A1CYP1A2CYP1B1TP53

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
EP-3858155-A1 A SWEETENER OR SWEETNESS ENHANCER COMPOSITION Analyticon Discovery GmbH (DE) 2021-08-04 EP claimed
EP-3858155-A1 A SWEETENER OR SWEETNESS ENHANCER COMPOSITION Analyticon Discovery GmbH (DE) 2021-08-04 EP disclosed