1,10-Dihydronootkatone

1,10-Dihydronootkatone

SCHEMBL29635345

C=C(C)[C@@H]1CCC2CC(=O)C[C@@H](C)[C@]2(C)C1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
SHBG P04278 4/20 0.41
AKR1B10 O60218 3/20 0.33
AKR1B1 P15121 3/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
CYP19A1 P11511 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
SERPINA6 P08185 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32

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
1,10-Dihydronootkatone SCHEMBL20608607 1.00 CYP2C19 (0.44) CYP2C19SHBGAKR1B10AKR1B1GPBAR1
1,10-Dihydronootkatone SCHEMBL23954040 1.00 CYP2C19 (0.44) CYP2C19SHBGAKR1B10AKR1B1GPBAR1
SCHEMBL12265754 0.68 CYP2C19 (0.42) CYP2C19
SCHEMBL18031735 0.68 CYP2C19 (0.42) CYP2C19
SCHEMBL13588603 0.67 CYP2C19 (0.41) CYP2C19
SCHEMBL30009202 0.65 CYP2C19 (0.39) CYP2C19MEN1KMT2AALDH1A1
SCHEMBL13683367 0.64 CYP2C19 (0.39) CYP2C19
SCHEMBL22747927 0.64 CYP2C19 (0.36) CYP2C19
SCHEMBL19240908 0.64 CYP2C19 (0.30) CYP2C19
SCHEMBL29935228 0.63 CYP2C19 (0.37) CYP2C19MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237396-B1 METHOD OF MITIGATING CONVERSION OF VOLATILE TERPENE SPECIES GIVAUDAN SA (CH) 2026-02-18 EP disclosed
US-20250333368-A1 METHOD OF MITIGATING CONVERSION OF VOLATILE TERPENE SPECIES GIVAUDAN SA (CH) 2025-10-30 US disclosed
US-12351546-B2 Method of mitigating conversion of volatile terpene species GIVAUDAN SA (CH) 2025-07-08 US disclosed
US-20240018077-A1 METHOD OF MITIGATING CONVERSION OF VOLATILE TERPENE SPECIES GIVAUDAN SA (CH) 2024-01-18 US disclosed
EP-4237396-A1 METHOD OF MITIGATING CONVERSION OF VOLATILE TERPENE SPECIES Givaudan SA (CH) 2023-09-06 EP disclosed
WO-2022251534-A1 INSECT REPELLENT FORMULATION AND METHOD OF USING SAME UNITED INDUSTRIES CORPORATION (US) 2022-12-01 WO disclosed
WO-2022090464-A1 METHOD OF MITIGATING CONVERSION OF VOLATILE TERPENE SPECIES GIVAUDAN SA (CH) 2022-05-05 WO disclosed