Nootkatone

Nootkatone

SCHEMBL110855

C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 1.00
SHBG P04278 7/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
LMNA P02545 5/20 0.37
MAPK1 P28482 4/20 0.37
SERPINA6 P08185 4/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PMP22 Q01453 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NR3C1 P04150 3/20 0.37
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP17A1 P05093 2/20 0.37
PGR P06401 2/20 0.37
ADORA3 P0DMS8 2/20 0.37

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
Nootkatone SCHEMBL3276192 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL14137791 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL335639 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL10146951 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL309679 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL16188788 0.87 CYP2C19 (0.78) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL6857288 0.87 CYP2C19 (0.78) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL20784005 0.85 CYP2C19 (0.74) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL24434436 0.84 CYP2C19 (0.73) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL21328500 0.82 CYP2C19 (0.68) CYP2C19

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

Appears in 5955 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132430-A1 METHODS FOR PRODUCTION OF OXYGENATED TERPENES GIVAUDAN SA (CH) 2026-05-14 US claimed
CN-122005487-A Preparation method of ROS response microsphere encapsulated mitochondrion targeted nocardione loaded Mxene multifunctional composite material 北京中医药大学东直门医院 2026-05-12 CN claimed
US-20260125432-A1 MALTOSE DEPENDENT DEGRONS, MALTOSE-RESPONSIVE PROMOTERS, STABILIZATION CONSTRUCTS, AND THEIR USE IN PRODUCTION OF NON-CATABOLIC COMPOUNDS AMYRIS INC (US) 2026-05-07 US claimed
US-12617741-B2 Method for the manufacture of α,β-unsaturated ketones SYMRISE AG (DE) 2026-05-05 US claimed
US-20260083123-A1 COMPATIBLE POLYMER/INSECT REPELLENT COMPOSITION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2026-03-26 US claimed
US-20260076366-A1 SYNERGISTIC PESTICIDAL COMPOSITIONS AND METHODS FOR DELIVERY OF ACTIVE INGREDIENTS 0903608 B C LTD (CA) 2026-03-19 US claimed
US-12575590-B2 Masking agent AJINOMOTO CO., INC. (JP) 2026-03-17 US claimed
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
EP-4687452-A1 ESSENTIAL OIL IMPREGNATED DEVICE AND METHODS OF USE THEREOF Pertinent Eco-Solutions Inc. (US) 2026-02-11 EP claimed
US-12545934-B2 Methods for production of oxygenated terpenes GIVAUDAN SA (CH) 2026-02-10 US claimed
EP-0110638-A2 Process for preparing citrus juice concentrate THE PROCTER & GAMBLE COMPANY (US) 1984-06-13 EP claimed
US-4269862-A ORGANOLEPTIC; PERFUMES, CHEWING GUM, DENTIFRICES, TOBACCO, DETERGENTS AND FABRIC SOFTENERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-26 US claimed
US-4197328-A 2-Oxabicyclooctane derivatives in augmenting or enhancing the aroma or taste of foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-04-08 US claimed
US-4195100-A Use of 2-oxabicyclooctane derivatives in augmenting or enhancing the flavor of a foodstuff INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-03-25 US claimed
US-4126709-A WINTERIZING, REMOVAL OF LIMONENE BY EVAPORATION, DISTILLATION CITRUS CENTRAL, INC. (US) 1978-11-21 US claimed
US-4097615-A ORGANOLEPTIC, AROMA AND TASTE ENHANCING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-27 US claimed
US-4055691-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-25 US claimed
US-4053655-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4053654-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4044164-A BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-23 US claimed