SCHEMBL28023138

SCHEMBL28023138

COC1(C(=O)C2(OC)CCCCC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19233 0.82 CYP2C19 (0.38) NPSR1MAPTMEN1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL8362281 0.80 CYP2C19 (0.37) NPSR1MAPTLMNACYP2C19ALDH1A1
SCHEMBL8362272 0.80 NPSR1 (0.34) NPSR1MAPTALDH1A1L3MBTL1
SCHEMBL9568683 0.80 LMNA (0.40) NPSR1MAPTLMNACYP2C19ALDH1A1
SCHEMBL2300431 0.79 FFAR3 (0.38) NPSR1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL12928737 0.79 NPSR1 (0.37) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL11387810 0.77 NPSR1 (0.35) NPSR1
SCHEMBL2771351 0.77 LMNA (0.37) NPSR1MAPTKMT2ALMNAALDH1A1
SCHEMBL21881695 0.77 NPSR1 (0.35) NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL11387822 0.77 FFAR3 (0.36) NPSR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110327947-A A kind of catalyst and the preparation method and application thereof of continuous production to methoxycyclohexyl ketone 西安凯立新材料股份有限公司 2019-10-15 CN claimed
CN-108409547-A To the preparation method of methoxycyclohexyl ketone 连云港市工业投资集团利海化工有限公司 2018-08-17 CN claimed
CN-107827881-A A kind of New-type spiro decene alcoholic compound and preparation method thereof 河南紫微星化学有限公司 2018-03-23 CN claimed
CN-105413681-A P-methoxyphenol hydrogenation catalyst, preparation method of p-methoxyphenol hydrogenation catalyst and hydrogenation reaction SHENYANG RES INST CHEMICAL IND CO LTD 2016-03-23 CN claimed
CN-103073401-B Preparation method of p-methoxycyclohexanone HUNAN RES INST CHEMICAL IND 2015-07-15 CN claimed
CN-107001382-B Spiral shell-thiazolone 豪夫迈·罗氏有限公司 2019-10-25 CN disclosed
CN-110327947-A A kind of catalyst and the preparation method and application thereof of continuous production to methoxycyclohexyl ketone 西安凯立新材料股份有限公司 2019-10-15 CN disclosed
CN-110327947-A A kind of catalyst and the preparation method and application thereof of continuous production to methoxycyclohexyl ketone 西安凯立新材料股份有限公司 2019-10-15 CN disclosed
CN-110327947-A A kind of catalyst and the preparation method and application thereof of continuous production to methoxycyclohexyl ketone 西安凯立新材料股份有限公司 2019-10-15 CN disclosed
CN-109796373-A The carbamic synthetic method of cis-4- methoxycyclohexyl -1- 南通江山农药化工股份有限公司 2019-05-24 CN disclosed
CN-109420492-A A kind of hydrogenation catalyst and its preparation method and application and a kind of method of phenols hydrogenation reaction 湖南长岭石化科技开发有限公司 2019-03-05 CN disclosed
CN-108993485-A The preparation method and application of a kind of mesoporous carbon microspherical catalyst of original position carried metal 浙江工业大学 2018-12-14 CN disclosed
CN-107001382-A Spiral shell thiazolone 豪夫迈·罗氏有限公司 2017-08-01 CN disclosed
CN-104649877-B A kind of preparation method of 2 methoxycyclohexyl ketone 岳阳昌德化工实业有限公司 2017-06-16 CN disclosed
CN-104649877-B A kind of preparation method of 2 methoxycyclohexyl ketone 岳阳昌德化工实业有限公司 2017-06-16 CN disclosed
CN-105152884-B Preparation method of 4-methoxycyclohexanon 湖南海利化工股份有限公司 2017-03-22 CN disclosed
CN-105413681-A P-methoxyphenol hydrogenation catalyst, preparation method of p-methoxyphenol hydrogenation catalyst and hydrogenation reaction SHENYANG RES INST CHEMICAL IND CO LTD 2016-03-23 CN disclosed
CN-105085515-A Hydrazide compound as blood coagulation factor Xa inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-11-25 CN disclosed
CN-104045531-B To the preparation method of hydroxy-cyclohexanone HUNAN HAILI CHANGDE PESTICIDE CHEMICAL CO., LTD. (CN) 2015-11-25 CN disclosed
CN-103073401-B Preparation method of p-methoxycyclohexanone HUNAN RES INST CHEMICAL IND 2015-07-15 CN disclosed