Licoagrocarpin

Licoagrocarpin

SCHEMBL30999862

COc1ccc2c(c1)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.78
▸ TYR P14679 1/20 0.58
▸ HSD17B1 P14061 1/20 0.51
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44

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
Licoagrocarpin SCHEMBL30999863 1.00 PTPN1 (0.78) PTPN1TYRHSD17B1MAPTMAPK1
SCHEMBL29571779 0.90 PTPN1 (0.63) PTPN1TYRHSD17B1MAPTMAPK1
SCHEMBL29572116 0.86 PTPN1 (0.88) PTPN1TYRHSD17B1HSP90AA1
Erybreadin C SCHEMBL31237899 0.85 PTPN1 (1.00) PTPN1HSD17B1MAOAMAOBHSP90AA1
Erybraedin A SCHEMBL29572007 0.83 PTPN1 (0.76) PTPN1TYRHSD17B1HSP90AA1CYP19A1
Vesticarpan SCHEMBL13731396 0.82 MAOA (0.58) PTPN1TYRMAPTMAPK1TDP1
SCHEMBL4727259 0.81 PTGS1 (0.63) PTPN1TYRMAPTMAPK1TDP1
SCHEMBL31357398 0.81 PTGS1 (0.63) PTPN1TYRMAPTMAPK1TDP1
SCHEMBL27836059 0.76 MAOA (0.73) PTPN1MAPTMAPK1TDP1MAOA
SCHEMBL29906138 0.75 PTPN1 (0.69) PTPN1HSD17B1MAPTMAPK1TDP1

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-118345132-A Biosynthesis method of glabridin precursor 4' -O-Methylpreglabridin 南京中医药大学 2024-07-16 — — CN claimed
CN-118345132-A Biosynthesis method of glabridin precursor 4' -O-Methylpreglabridin 南京中医药大学 2024-07-16 — — CN disclosed
Send feedback