Toxicarol

Toxicarol

SCHEMBL4742046

COc1cc2c(cc1OC)[C@@H]1C(=O)c3c(O)cc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 1.00
▸ SMN1; SMN2 Q16637 8/20 1.00
▸ MAPT P10636 8/20 1.00
▸ TDP1 Q9NUW8 5/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ USP2 O75604 4/20 1.00
▸ MAPK1 P28482 4/20 1.00
▸ TP53 P04637 4/20 0.73
▸ CYP2C19 P33261 4/20 0.73
▸ TSHR P16473 3/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ HSP90AA1 P07900 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ PTPN1 P18031 1/20 0.49
▸ ODC1 P11926 1/20 0.49
▸ LMNA P02545 4/20 0.47
▸ GALR3 O60755 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 2/20 0.47

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
Toxicarol SCHEMBL25199717 1.00 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938549 0.89 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938491 0.89 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL19185964 0.89 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL14273346 0.89 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL17188565 0.87 CYP3A4 (0.77) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
Beta-Toxicarol SCHEMBL5699248 0.86 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938548 0.86 CYP3A4 (0.75) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938546 0.86 CYP3A4 (0.75) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL16694452 0.85 CYP3A4 (0.86) CYP3A4SMN1; SMN2MAPTTDP1KDM4E

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103125503-B Purpose of alpha-toxicarol serving as agricultural fungicide SINOCHEM CORP 2014-06-18 — — CN claimed
CN-103125503-A Purpose of alpha-toxicarol serving as agricultural fungicide SINOCHEM CORP 2013-06-05 — — CN claimed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
WO-2022208169-A1 PULSATILE PROTOCOLS FOR CANCER TREATMENT METHODS AND USES CLINICS OPERATIONS LIMITED (GB) 2022-10-06 — — WO disclosed
CN-110511089-A Special biological organic fertilizer for sugarcane and production method thereof Yuan Huye 2019-11-29 — — CN disclosed
CN-107582551-A Treat degenerative and the method and composition of ischemic disease 总医院公司 2018-01-16 — — CN disclosed
CN-106977277-A Potassium polyphosphate corn slow release fertilizer and production method thereof 广西东林食品化工有限公司 2017-07-25 — — CN disclosed
CN-106866302-A Organic fertilizer and its production method with preventing and treating diseases and pests of agronomic crop 方志明 2017-06-20 — — CN disclosed
CN-103125503-B Purpose of alpha-toxicarol serving as agricultural fungicide SINOCHEM CORP 2014-06-18 — — CN disclosed
CN-103125503-A Purpose of alpha-toxicarol serving as agricultural fungicide SINOCHEM CORP 2013-06-05 — — CN disclosed
CN-102573847-A Methods and compositions for treating degenerative and ischemic diseases GEN HOSPITAL CORP 2012-07-11 — — CN disclosed
EP-1085805-A1 USE OF AT LEAST ONE ACID FROM THE CITRIC ACID CYCLE COMBINED WITH GLYCERINE AS A PESTICIDE Biolink Technologies AG (CH) 2001-03-28 — — EP disclosed
WO-1999063818-A1 USE OF AT LEAST ONE ACID FROM THE CITRIC ACID CYCLE COMBINED WITH GLYCERINE AS A PESTICIDE BIOLINK TECHNOLOGIES AG (CH) 1999-12-16 — — WO disclosed
US-5609878-A ADSORBENT POLYMER GUEYNE JEAN (MC) 1997-03-11 — — US disclosed
EP-0588857-B1 INSECTICIDE COMPOSITION GUEYNE JEAN (MC) 1997-01-15 — — EP disclosed
EP-0588857-A1 INSECTICIDE COMPOSITION. GUEYNE JEAN (MC) 1994-03-30 — — EP disclosed
WO-1992021242-A1 INSECTICIDE COMPOSITION GUEYNE JEAN (MC) 1992-12-10 — — WO disclosed
US-4698222-A Extraction of insecticides from plants SAPHYR S.A.R.L. (FR) 1987-10-06 — — US disclosed
US-4690775-A Emulsion-based gel and process for preparing same RESEARCH CORPORATION (US) 1987-09-01 — — US disclosed
WO-1983003951-A1 EXTRACTION OF INSECTICIDES FROM PLANTS SAPHYR S.A.R.L. (FR) 1983-11-24 — — WO disclosed
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