Acetylbupleurotoxin

Acetylbupleurotoxin

SCHEMBL30308945

CCC[C@H](CC/C=C/C=C/C#CC#C/C=C\CO)OC(C)=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
Oenanthotoxin SCHEMBL1170270 0.77 SOAT2 (0.38) SOAT2SOAT1FAAHCNR1CNR2
Oenanthotoxin SCHEMBL1170273 0.77 SOAT2 (0.38) SOAT2SOAT1FAAHCNR1CNR2
Bupleurotoxin SCHEMBL29664260 0.77 SOAT2 (0.38) SOAT2SOAT1FAAHCNR1CNR2
SCHEMBL30766358 0.74 FAAH (0.42) SOAT2SOAT1FAAHCNR1CNR2
SCHEMBL31460446 0.74 CTSK (0.35)
SCHEMBL28102522 0.72 HMGCR (0.40) SOAT2SOAT1FAAHCNR1CNR2
SCHEMBL28071097 0.72 HMGCR (0.40) SOAT2SOAT1FAAHCNR1CNR2
SCHEMBL2463766 0.70 CTSK (0.43) FAAHCNR1CNR2
SCHEMBL4941626 0.69 CTSK (0.36) FAAHCNR1CNR2
SCHEMBL29627131 0.69 FASN (0.45) FAAHCNR1CNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210933-A1 COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASE COMPRISING HYDROLYSIS EXTRACT OF PULSATILLA KOREANA AND ANEMONE RADDEANA AS ACTIVE INGREDIENT BACK, Ju Youn (KR) 2023-07-06 US claimed
EP-4162942-A1 COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASE, COMPRISING HYDROLYSIS EXTRACT OF PULSATILLA KOREANA AND ANEMONE RADDEANA AS ACTIVE INGREDIENT Back, Ju Youn (KR) 2023-04-12 EP claimed
CN-115916232-B Composition for preventing or treating inflammatory diseases comprising hydrolyzed extracts of pulsatilla chinensis and anemone polycephalum as active ingredients 白周娟 2024-10-01 CN disclosed
US-20230210933-A1 COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASE COMPRISING HYDROLYSIS EXTRACT OF PULSATILLA KOREANA AND ANEMONE RADDEANA AS ACTIVE INGREDIENT BACK, Ju Youn (KR) 2023-07-06 US disclosed
EP-4162942-A1 COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASE, COMPRISING HYDROLYSIS EXTRACT OF PULSATILLA KOREANA AND ANEMONE RADDEANA AS ACTIVE INGREDIENT Back, Ju Youn (KR) 2023-04-12 EP disclosed