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Sugi Predict / Compounds / Taraxerone

Taraxerone

Taraxerone

SCHEMBL23929104

CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.62
▸ CES2 O00748 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ F3 P13726 1/20 0.47
▸ PNLIP P16233 1/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ PTGS1 P23219 1/20 0.38

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
Taraxerone SCHEMBL3155249 1.00 PTPN1 (0.62) PTPN1CES2CES1F3PNLIP
SCHEMBL29934987 0.83 CES2 (0.47) PTPN1CES2CES1F3PNLIP
SCHEMBL30544824 0.79 PTPN1 (0.66) PTPN1CES2CES1PTPN2
Taraxerol SCHEMBL569463 0.77 PTPN1 (1.00) PTPN1CES1F3PTPN2RELA
Taraxerol SCHEMBL14047708 0.77 PTPN1 (1.00) PTPN1CES1F3PTPN2RELA
Taraxerol SCHEMBL15491005 0.77 PTPN1 (1.00) PTPN1CES1F3PTPN2RELA
Taraxerol SCHEMBL15491002 0.77 PTPN1 (1.00) PTPN1CES1F3PTPN2RELA
Taraxerol SCHEMBL569464 0.77 PTPN1 (1.00) PTPN1CES1F3PTPN2RELA
Taraxerol SCHEMBL21264264 0.77 PTPN1 (1.00) PTPN1CES1F3PTPN2RELA
SCHEMBL19473411 0.75 PTPN1 (0.71) PTPN1PTPN2

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-20230165921-A1 USE OF DANDELION AND MONOMER COMPOUNDS THEREOF FOR KILLING MITES Guangzhou Medical University Property Operation Limited Corporation (CN) 2023-06-01 — — US disclosed
EP-4129314-A1 USE OF DANDELION AND MONOMER COMPOUNDS THEREOF FOR KILLING MITES Smilebiotek Zhuhai Limited (CN) 2023-02-08 — — EP disclosed
CN-115607586-A Application of dandelion and monomer compound thereof in mite killing 珠海岐微生物科技有限公司 2023-01-17 — — CN disclosed
WO-2021213485-A1 USE OF DANDELION AND MONOMER COMPOUNDS THEREOF FOR KILLING MITES 珠海岐微生物科技有限公司 (CN) 2021-10-28 — — WO disclosed
CN-101685733-A High-temperature thermal fuse device THERM O DISC INC 2010-03-31 — — CN disclosed