SCHEMBL6576698

SCHEMBL6576698

CCC(C)(C)CC(=O)OC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
EPHX1 P07099 2/20 0.47
HTT P42858 6/20 0.46
CYP2C19 P33261 1/20 0.45
CYP19A1 P11511 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 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
SCHEMBL23518510 0.86 APOBEC3A (0.38) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL291275 0.83 NAAA (0.51) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL8980126 0.81 NAAA (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL28784765 0.79 NAAA (0.49) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL23518515 0.79 NAAA (0.54) NAAAHTTSMN1; SMN2EPHX2ALDH1A1
Acetic Acid SCHEMBL28606205 0.79 NAAA (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL19690609 0.77 NAAA (0.46) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL183236 0.77 NAAA (0.61) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1695751 0.77 NAAA (0.61) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1595662 0.77 NAAA (0.61) NAAAEPHX1HTTCYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111918636-B Cosmetic product gel containing fruit acid 拜尔斯道夫股份有限公司 2023-07-18 CN claimed
CN-115551986-A Fragrance composition 奇华顿股份有限公司 2022-12-30 CN claimed
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN claimed
CN-110709053-A Alkanediols in salt-containing cosmetic preparations 拜尔斯道夫股份有限公司 2020-01-17 CN claimed
EP-2276451-B1 PREPARATION FOR DAY CARE BEIERSDORF AG (DE) 2014-06-04 EP claimed
CN-114746407-B Novel aromatic monothiol ketals as fragrances 西姆莱斯股份公司 2024-06-21 CN disclosed
CN-114174277-B 2, 6-Trimethyl-4, 5-dihydro-3H-oxaheptacyclic as aromatic component 巴斯夫欧洲公司 2024-06-04 CN disclosed
CN-114080380-B 2- (2, 4, 5-Trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2024-05-28 CN disclosed
CN-118103021-A Esters of 5-methylhex-2-enol and use thereof as fragrance chemicals 巴斯夫欧洲公司 2024-05-28 CN disclosed
CN-110809622-B Novel ambergris and/or indole fragrance compositions 西姆莱斯有限公司 2024-05-24 CN disclosed
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
CN-113766969-B Method for preparing microcapsules 西姆莱斯股份公司 2024-05-14 CN disclosed
CN-103282475-A Fragrance compositions comprising special mixtures of diastereomers of 2-sobutyl-4-methyl-tetrahydro-2h-pyran-4-ol BASF SE 2013-09-04 CN disclosed
CN-101990572-B Use of carboxylic acid esters as a fragrance substance SYMRISE GMBH & CO KG 2013-06-05 CN disclosed
CN-103030538-A Fragrances with note of lily of the valley SYMRISE AG 2013-04-10 CN disclosed
CN-102558134-A Ambergris perfuming agent SYMRISE AG 2012-07-11 CN disclosed
CN-101990572-A Use of carboxylic acid esters as a fragrance substance SYMRISE GMBH & CO KG 2011-03-23 CN disclosed
EP-1383858-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS The Procter & Gamble Company (US) 2004-01-28 EP disclosed
WO-2002090480-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed