SCHEMBL2344965

SCHEMBL2344965

CCC(C)(C(=O)O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.37
EPHX1 P07099 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
SSTR4 P31391 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL18197562 0.89 KEAP1 (0.35) RECQLKEAP1NFE2L2CHRM2CHRM4
SCHEMBL27160176 0.84 RECQL (0.35) RECQLEPHX1CHRM2CHRM4CHRM1
SCHEMBL3147437 0.84 SSTR4 (0.36) RECQLEPHX1KEAP1NFE2L2CHRM2
SCHEMBL28444867 0.83 RECQL (0.37) RECQLEPHX1CHRM2CHRM4CHRM1
SCHEMBL2335573 0.82 EPHX1 (0.34) EPHX1KEAP1NFE2L2CHRM2CHRM4
SCHEMBL28107685 0.82 CYP2D6 (0.41) EPHX1KEAP1NFE2L2CHRM2CHRM4
SCHEMBL17729244 0.82 SHBG (0.33)
SCHEMBL11229398 0.82 HSD17B10 (0.40) EPHX1KEAP1NFE2L2CHRM2CHRM4
SCHEMBL3271255 0.81 CYP1A2 (0.39) EPHX1CHRM2CHRM4CHRM1CHRM3
SCHEMBL7441473 0.80 ARG1 (0.41) EPHX1CYP2D6MEN1PMP22KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009497-B1 CLEANSER COMPOSITION LION CORP (JP) 2018-11-21 EP claimed
CN-105283531-B Detergent composition 狮王株式会社 2018-11-02 CN claimed
CN-107205381-A Insect repellent 花王株式会社 2017-09-26 CN claimed
CN-104334701-B Flavor compositions 花王株式会社 2016-08-31 CN claimed
CN-105283531-A Detergent composition LION CORP 2016-01-27 CN claimed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP claimed
CN-102712882-A Composition comprising encapsulates, and process for making them PROCTER & GAMBLE 2012-10-03 CN claimed
CN-102695491-A Perfumes and perfume encapsulates PROCTER & GAMBLE 2012-09-26 CN claimed
CN-102245564-A Crystalline forms of a 3-carboxypropyl-aminotetralin compound THERAVANCE INC 2011-11-16 CN claimed
WO-2011101181-A1 PERFUME COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO claimed
CN-101579292-A Perfume composition KAO CORP (JP) 2009-11-18 CN claimed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP claimed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO claimed
EP-1648526-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS Symrise GmbH & Co. KG (DE) 2006-04-26 EP claimed
CN-1674862-A Perfume composition KAO CORP (JP) 2005-09-28 CN claimed
WO-2005009492-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO. KG (DE) 2005-02-03 WO claimed
CN-109789384-A In organic compound or associated improvement 奇华顿股份有限公司 2019-05-21 CN disclosed
CN-105283531-B Detergent composition 狮王株式会社 2018-11-02 CN disclosed
CN-1674862-A Perfume composition KAO CORP (JP) 2005-09-28 CN disclosed
CN-1545501-A Novel cyclohexyl sulphones Ĭ�ˡ�����-��ķ��˾ 2004-11-10 CN disclosed