SCHEMBL113330

SCHEMBL113330

CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.32
PKM P14618 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSB P07858 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
MEN1 O00255 1/20 0.31
GALR3 O60755 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL8589649 0.85 SMN1; SMN2 (0.36) SMN1; SMN2TDP1ALDH1A1TSHRCYP1A2
SCHEMBL11048383 0.82 TDP1 (0.36) SMN1; SMN2TDP1ALDH1A1TSHRCYP1A2
SCHEMBL22554339 0.81 NPC1 (0.35) SMN1; SMN2TDP1ALDH1A1TSHRMAPK1
SCHEMBL17976890 0.81 CA1 (0.33)
SCHEMBL27884910 0.81 MAPT (0.34) SMN1; SMN2TDP1ALDH1A1TSHRCYP3A4
SCHEMBL1224154 0.80 TSHR (0.41) SMN1; SMN2TDP1ALDH1A1TSHRPKM
SCHEMBL273394 0.80 TSHR (0.41) SMN1; SMN2TDP1ALDH1A1TSHRPKM
SCHEMBL13715361 0.80 ALDH1A1 (0.32) TDP1ALDH1A1TSHRMAPTPOLB
SCHEMBL27334468 0.79 TDP1 (0.37) SMN1; SMN2TDP1ALDH1A1TSHRPKM
SCHEMBL12348427 0.79 SMN1; SMN2 (0.39) SMN1; SMN2TDP1ALDH1A1TSHRCYP1A2

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 5442 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104604-A1 SOLID FRAGRANCE COMPOSITION FIRMENICH SA (CH) 2026-05-21 WO claimed
EP-4731719-A1 CONDUCTIVE INK COMPOSITION AND METHOD THEREOF Graphenest, S.A. (PT) 2026-04-29 EP claimed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP claimed
US-12421474-B2 Perfume oil mixture SYMRISE AG (DE) 2025-09-23 US claimed
EP-4599048-A1 COMPOSITIONS AND METHODS FOR SMALL MOLECULE BASED EXPANSION OF PLURIPOTENT STEM CELLS Trailhead Biosystems Inc. (US) 2025-08-13 EP claimed
EP-4577639-A1 METHODS AND COMPOSITIONS FOR SMALL MOLECULE BASED PANCREATIC BETA CELL INDUCTION Trailhead Biosystems Inc. (US) 2025-07-02 EP claimed
EP-4569090-A2 METHODS AND COMPOSITIONS FOR GENERATING OLIGODENDROCYTE PROGENITOR CELLS Trailhead Biosystems Inc. (US) 2025-06-18 EP claimed
CN-120114426-A New use of musk ketone 天津中医药大学 2025-06-10 CN claimed
CN-120058794-A Synthesis method of musk ketone intermediate and catalyst adopted by same 绵阳市斯麦尔顾生物科技有限公司 2025-05-30 CN claimed
CN-118993864-B Preparation method of musk ketone 绵阳市斯麦尔顾生物科技有限公司 2025-05-16 CN claimed
CN-1059937-A The production method of technology of fragrant fur FUR MILL ZHUCHENG CITY (CN) 1992-04-01 CN claimed
CN-1059709-A 2, the synthetic method of 15-hexadecane diketone CHINA PLA MILITARY MEDICAL SCI (CN) 1992-03-25 CN claimed
US-4741856-A Packaged perfumed granular detergent THE PROCTER & GAMBLE COMPANY (US) 1988-05-03 US claimed
EP-0142886-B1 COMPOSITIONS CONTAINING ODOR PURIFIED PROTEOLYTIC ENZYMES AND PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1988-03-16 EP claimed
EP-0142886-A2 Compositions containing odor purified proteolytic enzymes and perfumes THE PROCTER & GAMBLE COMPANY (US) 1985-05-29 EP claimed
US-4515705-A DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1985-05-07 US claimed
US-4311617-A Perfumery compositions BUSH BOAKE ALLEN LIMITED (GB) 1982-01-19 US claimed
US-4162221-A Synthetic musk-based composition, its production and applications SOCIETE DES PRODUITS CHIMIQUES ET MATIERES COLORANTES DE MULHOUSE (FR) 1979-07-24 US claimed
US-4155743-A CONTROLLING FORMATION OF SUCKERS IN TOBACCO PLANTS BY APPLYING 3,5-DINITRO-2,6-DIMETHYL-4-T-BUTYLACETOPHENONE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-22 US claimed
US-4100110-A Isolongifolene Prins reaction compounds in perfumery BUSH BOAKE ALLEN LIMITED (GB) 1978-07-11 US claimed