SCHEMBL8650440

SCHEMBL8650440

C=CCOC(=O)C(C)CCCCCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
CA1 P00915 2/20 0.47
ACE2 Q9BYF1 1/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
ABCB1 P08183 1/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39

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
SCHEMBL7165375 1.00 TSHR (0.57) TSHRCA1ACE2ZDHHC7TDP1
SCHEMBL28840191 1.00 TSHR (0.57) TSHRCA1ACE2ZDHHC7TDP1
SCHEMBL4957257 0.98 TSHR (0.54) TSHRCA1ACE2ZDHHC7TDP1
Methylene Chloride SCHEMBL28116180 0.95 TSHR (0.53) TSHRCA1ACE2ZDHHC7TDP1
SCHEMBL31443214 0.94 TSHR (0.51) TSHRCA1ACE2ZDHHC7TDP1
SCHEMBL12913888 0.93 TSHR (0.51) TSHRCA1ACE2TDP1LMNA
SCHEMBL31443216 0.87 TSHR (0.46) TSHRCA1ZDHHC7TDP1ABCB1
SCHEMBL9508018 0.86 MAPT (0.48) TSHRCA1TDP1LMNAABCB1
SCHEMBL9508778 0.86 MAPT (0.48) TSHRCA1TDP1LMNAABCB1
SCHEMBL7781883 0.85 TDP1 (0.46) TSHRCA1TDP1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103328476-B Optically active diazacyclooctane derivative and preparation method thereof 明治制果药业株式会社 2016-12-28 CN claimed
CN-103328476-A Optically active diazacyclooctane derivative and preparation method thereof MEIJI SEIKA PHARMA CO LTD 2013-09-25 CN claimed
CN-110248631-A Fluid-absorbent articles 巴斯夫欧洲公司 2019-09-17 CN disclosed
CN-105683226-B Fluid-absorbent article 巴斯夫欧洲公司 2018-08-17 CN disclosed
CN-107106382-A Fluid-absorbent articles 巴斯夫欧洲公司 2017-08-29 CN disclosed
CN-104892490-B For the compound for the midbody compound for preparing optical activity diazocine alkane derivatives 明治制果药业株式会社 2017-07-21 CN disclosed
CN-103328476-B Optically active diazacyclooctane derivative and preparation method thereof 明治制果药业株式会社 2016-12-28 CN disclosed
US-9362595-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2016-06-07 US disclosed
CN-104892490-A Optically-active diazabicyclooctane derivative and method for manufacturing same MEJI SEIKA PHARMA CO LTD 2015-09-09 CN disclosed
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US disclosed
CN-103328476-A Optically active diazacyclooctane derivative and preparation method thereof MEIJI SEIKA PHARMA CO LTD 2013-09-25 CN disclosed
US-5760044-A Method for treating cocaine and amphetamine dependency ALBANY MOLECULAR RESEARCH, INC. 1998-06-02 US disclosed
WO-1997042950-A1 METHOD FOR TREATING COCAINE AND AMPHETAMINE DEPENDENCY ALBANY MOLECULAR RESEARCH, INC. (US) 1997-11-20 WO disclosed