SCHEMBL3252017

SCHEMBL3252017

CCC(=O)CCCCCCCCCCCCCCc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.65
HDAC8 Q9BY41 2/20 0.65
CYP1A2 P05177 3/20 0.60
NAAA Q02083 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HCAR2 Q8TDS4 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.47
HDAC3 O15379 2/20 0.47
IAPP P10997 1/20 0.46
HDAC2 Q92769 1/20 0.46
PDPK1 O15530 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL23662913 0.87 IAPP (0.60) HDAC1HDAC8CYP1A2NPC1ALDH1A1
SCHEMBL8016522 0.84 HDAC1 (0.68) HDAC1HDAC8CYP1A2NAAANPC1
SCHEMBL9128919 0.84 HDAC1 (0.68) HDAC1HDAC8CYP1A2NAAANPC1
SCHEMBL710798 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2
SCHEMBL2107915 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2
SCHEMBL2536989 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2
SCHEMBL10439755 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2
SCHEMBL10439620 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2
SCHEMBL10439619 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2
SCHEMBL8434872 0.83 CYP1A2 (0.87) HDAC1HDAC8CYP1A2NAAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106822-B1 COMPOSITION COMPRISING MICRO-ENCAPSULATED MALODOR CONTROL AGENTS AND THEIR USE FOR REDUCING MALODORS HENKEL AG & CO KGAA (DE) 2024-04-17 EP claimed
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
EP-3383359-B1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2022-08-03 EP claimed
EP-2809760-B1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO KGAA (DE) 2019-03-20 EP claimed
EP-3045518-B1 LIQUID DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2018-10-31 EP claimed
EP-2757146-B1 Treatment compositions comprising microcapsules, primary or secondary amines, and formaldehyde scavengers PROCTER & GAMBLE (US) 2018-01-03 EP claimed
EP-2440643-B1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT HENKEL AG & CO KGAA (DE) 2017-10-11 EP claimed
EP-2655582-B1 PERFUME COMPOSITION COMPRISING FRAGRANCE ALDEHYDE OR KETONE AND OXAZOLIDINE FRAGRANCE PRECURSOR HENKEL AG & CO KGAA (DE) 2017-10-04 EP claimed
EP-2536679-B1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2016-11-23 EP claimed
EP-2750720-B1 PROCESS FOR CONTROLLING MALODORS USING OXAZOLIDINES HENKEL AG & CO KGAA (DE) 2015-09-30 EP claimed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP claimed
EP-2536469-B1 STABILISED PERFUME OILS HENKEL AG & CO KGAA (DE) 2014-03-19 EP claimed
EP-2364186-B1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO KGAA (DE) 2013-12-25 EP claimed
EP-1976855-B1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2012-08-15 EP claimed
EP-1677749-B1 SHORT-CHAIN ENOL ESTERS AS ODIFEROUS SUBSTANCE PRECURSORS SYMRISE GMBH & CO KG (DE) 2010-05-05 EP claimed
EP-1143924-B2 EXOTHERMIC EFFERVESCENT COMPOSITION FOR IMPROVED FRAGRANCE DISPERSION PHYZZ INC (US) 2008-11-26 EP claimed
EP-1290132-B1 FABRIC CARE COMPOSITIONS AND SYSTEMS FOR DELIVERING CLEAN, FRESH SCENT IN A LIPOPHILIC FLUID TREATMENT PROCESS PROCTER & GAMBLE (US) 2008-04-30 EP claimed
EP-1143924-B1 EXOTHERMIC EFFERVESCENT COMPOSITION FOR IMPROVED FRAGRANCE DISPERSION PHYZZ INC (US) 2005-10-26 EP claimed
EP-0142886-B1 COMPOSITIONS CONTAINING ODOR PURIFIED PROTEOLYTIC ENZYMES AND PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1988-03-16 EP claimed
EP-1169425-B1 ACTIVE-SUBSTANCE VECTOR MULTIPARTICULATE SYSTEM, PRODUCTION AND USE THEREOF RHODIA CHIMIE SA (FR) 2004-12-22 EP disclosed
EP-1169425-A1 ACTIVE-SUBSTANCE VECTOR MULTIPARTICULATE SYSTEM, PRODUCTION AND USE THEREOF RHODIA CHIMIE (FR) 2002-01-09 EP disclosed
EP-1060235-A1 PERFUMES ENCAPSULATED IN ALKALI-WATER SOLUBLE POLYMERS, PREPARATION METHOD AND USE IN DETERGENT COMPOSITIONS RHODIA CHIMIE (FR) 2000-12-20 EP disclosed
WO-2000061714-A1 ACTIVE-SUBSTANCE VECTOR MULTIPARTICULATE SYSTEM, PRODUCTION AND USE THEREOF RHODIA CHIMIE (FR) 2000-10-19 WO disclosed
WO-1999038946-A1 PERFUMES ENCAPSULATED IN ALKALI-WATER SOLUBLE POLYMERS, PREPARATION METHOD AND USE IN DETERGENT COMPOSITIONS RHODIA CHIMIE (FR) 1999-08-05 WO disclosed
WO-1999038946-A1 PERFUMES ENCAPSULATED IN ALKALI-WATER SOLUBLE POLYMERS, PREPARATION METHOD AND USE IN DETERGENT COMPOSITIONS RHODIA CHIMIE (FR) 1999-08-05 WO disclosed