Hexanoate

Hexanoate

SCHEMBL28167751

CC(C)(C)c1ccccc1C(=O)OO.CCCCCC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 6/20 0.43
AKR1B1 P15121 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
RBP4 P02753 1/20 0.43
LMNA P02545 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42

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
Hydrogen Peroxide SCHEMBL8974942 0.84 TDP1 (0.46) ALDH1A1NPSR1TSHRRBP4LMNA
SCHEMBL29942702 0.84 ALDH1A1 (0.52) ALDH1A1NPSR1TSHRTP53CYP3A4
SCHEMBL29448528 0.82 MAPT (0.44) ALDH1A1NPSR1TSHRLMNATDP1
SCHEMBL14976 0.82 MAPT (0.44) ALDH1A1NPSR1TSHRLMNATDP1
Palmitic Acid SCHEMBL27589652 0.82 ALDH1A1 (0.57) ALDH1A1TSHRTP53CYP3A4MAPK1
Acetic Acid SCHEMBL28044565 0.81 TDP1 (0.44) ALDH1A1NPSR1TSHRRBP4LMNA
2-Ethylhexanoic Acid SCHEMBL28027334 0.81 MAPK1 (0.50) ALDH1A1NPSR1TSHRTP53CYP3A4
Pivalate SCHEMBL28089548 0.79 TDP1 (0.43) ALDH1A1NPSR1TSHRRBP4LMNA
SCHEMBL5421808 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTP53CYP3A4MAPK1
Hexanoate SCHEMBL9462906 0.78 CES2 (0.56) ALDH1A1TSHRAKR1B1LMNAGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109021858-A A kind of weather-proof release film and preparation method thereof 江苏优珀斯材料科技有限公司 2018-12-18 CN disclosed
CN-108839416-A A kind of high surface energy self-adhesive film and preparation method thereof 江苏优珀斯材料科技有限公司 2018-11-20 CN disclosed
CN-108842932-A A kind of high guarantor's clay soil/polyolefin antiadhesion barrier and preparation method thereof 江苏优珀斯材料科技有限公司 2018-11-20 CN disclosed
CN-107109147-A Adhesive resin layer, adhesive resin film, the manufacture method of layered product and layered product 藤森工业株式会社 2017-08-29 CN disclosed