SCHEMBL4456372

SCHEMBL4456372

CCC(=O)CC1=C(C)CCCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
RXRA P19793 7/20 0.41
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
RARA P10276 5/20 0.41
HAO1 Q9UJM8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPA1 O75762 2/20 0.38
ACHE P22303 1/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDCD1 Q15116 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5027003 0.83 RARB (0.42) CYP1A2RXRARARBRARGRARA
SCHEMBL959478 0.82 CYP1A2 (0.47) CYP1A2RXRARARBRARGRARA
SCHEMBL17066873 0.81 ALDH1A1 (0.46) CYP1A2RXRARARBRARGRARA
SCHEMBL26054308 0.78 HAO1 (0.41) CYP1A2RXRARARBRARGRARA
SCHEMBL3839248 0.77 HAO1 (0.43) CYP1A2RXRARARBRARGRARA
SCHEMBL4392939 0.77 TRPA1 (0.41) CYP1A2RXRARARBRARGRARA
SCHEMBL7769883 0.76 CYP1A2 (0.35) CYP1A2RXRAHAO1
SCHEMBL19928616 0.75 ALDH1A1 (0.42) CYP1A2RXRARARBRARGRARA
SCHEMBL11042712 0.75 TRPA1 (0.39) MAPTTRPA1
SCHEMBL4666701 0.74 ALDH1A1 (0.44) CYP1A2RXRARARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4164783-A1 POLYAMIDE MICROCAPSULES Firmenich SA (CH) 2023-04-19 EP disclosed
EP-4110894-A1 SHEETS COMPRISING ENCAPSULATED FRAGRANCE COMPOSITIONS AND METHODS TO MANUFACTURE SAME Firmenich SA (CH) 2023-01-04 EP disclosed
EP-4103537-A1 LILY OF THE VALLEY ODORANT Firmenich SA (CH) 2022-12-21 EP disclosed
EP-4097199-A1 ODORANT COMPOUND Firmenich SA (CH) 2022-12-07 EP disclosed
CN-114269888-A Fragrance enhancing compositions 阿尔门德拉私人有限公司 2022-04-01 CN disclosed
WO-2021254931-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2021-12-23 WO disclosed
EP-3921074-A1 COMPOSITE MICROCAPSULES Firmenich SA (CH) 2021-12-15 EP disclosed
EP-3921076-A1 POLY(AMIDE-ESTER) MICROCAPSULES Firmenich SA (CH) 2021-12-15 EP disclosed
EP-3921075-A1 CLEAVABLE MULTI-ALCOHOL-BASED MICROCAPSULES Firmenich SA (CH) 2021-12-15 EP disclosed
WO-2021209393-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2021-10-21 WO disclosed
WO-2021023645-A1 CLEAVABLE MULTI-ALCOHOL-BASED MICROCAPSULES FIRMENICH SA (CH) 2021-02-11 WO disclosed
WO-2021023647-A1 POLY(AMIDE-ESTER) MICROCAPSULES FIRMENICH SA (CH) 2021-02-11 WO disclosed
WO-2021018947-A1 COMPOSITE MICROCAPSULES FIRMENICH SA (CH) 2021-02-04 WO disclosed
EP-2074154-A1 POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2009-07-01 EP disclosed
WO-2008044178-A1 POLYMER CONJUGATES FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2008-04-17 WO disclosed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP disclosed
WO-2007128326-A1 PERFUME DELIVERY SYSTEM FOR CLEANERS EVONIK GOLDSCHMIDT GMBH (DE) 2007-11-15 WO disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
US-5527769-A AROMATIC ALDEHYDES OR ACETALS IMPART FLORAL FRAGRANCES FIRMENICH SA (CH) 1996-06-18 US disclosed