SCHEMBL28034396

SCHEMBL28034396

C=CC(=O)OC(C)(C)CCCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 3/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
PTPN1 P18031 1/20 0.31
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 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
SCHEMBL23494155 0.86 TSHR (0.46) CYP3A4MEN1ALOX15KMT2ATSHR
SCHEMBL28094628 0.86 ACE2 (0.41) CYP3A4MEN1ALOX15KMT2ATSHR
SCHEMBL6945246 0.84 TSHR (0.41) CYP3A4MEN1ALOX15KMT2ATSHR
SCHEMBL22783272 0.82 TSHR (0.38) CYP3A4MEN1ALOX15KMT2ATSHR
SCHEMBL28275897 0.82 CA2 (0.45) CYP3A4MEN1KMT2ATSHRALDH1A1
SCHEMBL28300284 0.82 CA2 (0.45) CYP3A4MEN1KMT2ATSHRALDH1A1
SCHEMBL28107482 0.82 CA2 (0.45) CYP3A4MEN1KMT2ATSHRALDH1A1
SCHEMBL28723996 0.81 TSHR (0.47) CYP3A4TSHRALDH1A1HPGDBLM
SCHEMBL28708590 0.81 TSHR (0.47) CYP3A4TSHRALDH1A1HPGDBLM
SCHEMBL20842347 0.81 TSHR (0.47) CYP3A4TSHRALDH1A1HPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110144031-A Method for grafting and modifying lignin by photoinduction organic catalysis 南京工业大学 2019-08-20 CN claimed
CN-109251695-A Ultraviolet curing type glue, ultraviolet curing type adhesive tape and its application 安徽屹珹新材料科技有限公司 2019-01-22 CN claimed
CN-110144031-A Method for grafting and modifying lignin by photoinduction organic catalysis 南京工业大学 2019-08-20 CN disclosed
CN-106939066-B Method for preparing silicon hydrogel applied to ophthalmologic article 望隼科技股份有限公司 2019-07-26 CN disclosed
CN-109575871-A A kind of ultraviolet radioactive and the adhesive composition of moisture dual cure and application thereof 万华化学集团股份有限公司 2019-04-05 CN disclosed
CN-109251695-A Ultraviolet curing type glue, ultraviolet curing type adhesive tape and its application 安徽屹珹新材料科技有限公司 2019-01-22 CN disclosed
CN-106939066-A Method for preparing silicon hydrogel applied to ophthalmologic article 望隼科技股份有限公司 2017-07-11 CN disclosed
CN-105315901-A Actinic radiation and moisture dual curable composition DYMAX CORP 2016-02-10 CN disclosed