SCHEMBL584815

SCHEMBL584815

CC(C)=CCC/C(C)=C(\C)C(=O)O.CC/C=C(\CCCCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
THRB P10828 1/20 0.41
PGGT1B P53609 1/20 0.41
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
EP300 Q09472 1/20 0.36
PPARG P37231 5/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 5/20 0.35
TERT O14746 3/20 0.35
PTPN1 P18031 3/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
FABP4 P15090 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5178955 0.86 FNTA (0.40) FNTAFNTBTHRBPGGT1BATM
SCHEMBL22688954 0.82 KDM4E (0.61) FNTAFNTBATMKDM4EPOLB
SCHEMBL4688050 0.81 AKR1B1 (0.50) EP300PPARGPPARDPPARAPTPN1
SCHEMBL112344 0.81 AKR1B1 (0.50) EP300PPARGPPARDPPARAPTPN1
SCHEMBL112345 0.81 AKR1B1 (0.50) EP300PPARGPPARDPPARAPTPN1
SCHEMBL5077544 0.79 GPR84 (0.52) EP300PPARGPPARDPPARAPTPN1
SCHEMBL30900564 0.79 GPR84 (0.52) EP300PPARGPPARDPPARAPTPN1
SCHEMBL30595585 0.79 GPR84 (0.52) EP300PPARGPPARDPPARAPTPN1
SCHEMBL1864621 0.79 GPR84 (0.52) EP300PPARGPPARDPPARAPTPN1
SCHEMBL29132849 0.79 GPR84 (0.52) EP300PPARGPPARDPPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
EP-2966158-B2 Isomers mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2024-03-13 EP disclosed
EP-4282853-A1 PROCESS FOR THE PREPARATION OF MESACONIC ACID ESTERS Symrise AG (DE) 2023-11-29 EP disclosed
EP-4269084-A1 USE OF A MULTILAYER PAPER DIFFUSION ROD TO DELIVER VOLATILE SUBSTANCES INTO THE ENVIRONMENT AND THE DEVICE ITSELF Mantz GmbH (DE) 2023-11-01 EP disclosed
EP-3853199-B1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2023-10-25 EP disclosed
EP-2662434-B2 Use of specific compounds for enhancing odours SYMRISE AG (DE) 2023-08-16 EP disclosed
EP-4122503-A1 DEVICE FOR DISPENSING VOLATILE SUBSTANCES INTO THE ENVIRONMENT Mantz GmbH (DE) 2023-01-25 EP disclosed
EP-4006130-A1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2022-06-01 EP disclosed
EP-3996525-A1 METHOD FOR THE RECOVERY OR ENRICHMENT OF FLAVOURS OF FRAGRANCES FROM AN AROMA-LADEN GAS PHASE AND AN AROMA CONCENTRATE Symrise AG (DE) 2022-05-18 EP disclosed
EP-3167031-B1 ISOMERS MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2022-02-09 EP disclosed
WO-2007060048-A1 2-METHYL-3-(5-METHYL-2-FURYL)BUTANAL SYMRISE GMBH & CO. KG (DE) 2007-05-31 WO disclosed
WO-2006074979-A1 USE OF 2,2-DIMETHYL-3-CYCLOHEXYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2006-07-20 WO disclosed
EP-1670420-A1 USE OF 3-CYCLOHEXENYL-1-PROPANOL AS A PERFUME Symrise GmbH & Co. KG (DE) 2006-06-21 EP disclosed
EP-1648526-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS Symrise GmbH & Co. KG (DE) 2006-04-26 EP disclosed
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 EP disclosed
EP-1599434-A1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2005-11-30 EP disclosed
WO-2005030156-A1 USE OF 3-CYCLOHEXENYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2005-04-07 WO disclosed
WO-2005009492-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO. KG (DE) 2005-02-03 WO disclosed
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO disclosed
WO-2004076393-A1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-09-10 WO disclosed