Beta-Toxicarol

Beta-Toxicarol

SCHEMBL5699248

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

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
▸ TDP1 Q9NUW8 5/20 1.00
▸ MAPT P10636 8/20 0.76
▸ KDM4E B2RXH2 5/20 0.76
▸ ALDH1A1 P00352 5/20 0.76
▸ USP2 O75604 4/20 0.76
▸ MAPK1 P28482 4/20 0.76
▸ TP53 P04637 4/20 0.66
▸ CYP2C19 P33261 4/20 0.66
▸ TSHR P16473 3/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ HSP90AA1 P07900 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ PTPN1 P18031 1/20 0.45
▸ ODC1 P11926 1/20 0.45
▸ LMNA P02545 4/20 0.43
▸ GALR3 O60755 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 2/20 0.43

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 SCHEMBL4742046 0.86 CYP3A4 (1.00) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
Toxicarol SCHEMBL25199717 0.86 CYP3A4 (1.00) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL14273346 0.83 CYP3A4 (0.80) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL11938491 0.83 CYP3A4 (0.80) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL11938549 0.83 CYP3A4 (0.80) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL19185964 0.83 CYP3A4 (0.80) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL17188565 0.80 CYP3A4 (0.77) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL11938548 0.80 CYP3A4 (0.75) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL11938546 0.80 CYP3A4 (0.75) CYP3A4SMN1; SMN2TDP1MAPTKDM4E
Deguelin SCHEMBL29405854 0.79 CYP3A4 (1.00) CYP3A4SMN1; SMN2TDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190015423-A1 REGULATION OF GENE EXPRESSION BY MODULATING PRIMARY CILIA LENGTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 — — US claimed
US-20190015423-A1 REGULATION OF GENE EXPRESSION BY MODULATING PRIMARY CILIA LENGTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 — — US disclosed
EP-0972075-B1 METHODS FOR ASSESSING CARDIOVASCULAR STATUS AND COMPOSITIONS FOR USE THEREOF MEADOWLAND BUSINESS PARTNERS A (SE) 2006-08-09 — — EP disclosed
US-6197505-B1 NUCLEIC ACID DERIVED FROM HUMAN GENE WHICH ENCODES ANGIOTENSIN CONVERTING ENZYME AND WHICH IS POLYMORPHIC AT ONE OR SEVERAL POSITIONS; SCREENING FOR PREDISPOSITION; ASSESSING RESPONSIVENESS OF INDIVIDUAL TO TREATMENT REGIMEN PYROSEQUENCING AB (SE) 2001-03-06 — — US disclosed
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