SCHEMBL29128907

SCHEMBL29128907

CC(C)COC(CC(=O)CC(=O)O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PGD P52209 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
SCHEMBL16411803 0.79 LDHA (0.33) LDHASRR
SCHEMBL17733 0.75 ALDH1A1 (0.46) CYP2D6CYP2C19LDHASRRCACNA2D1
SCHEMBL3244513 0.74 TSHR (0.34) TSHR
SCHEMBL2915579 0.74 GAA (0.37) TSHRLDHASRR
SCHEMBL28073104 0.73 ALDH1A1 (0.43) CYP2D6CYP2C19LDHASRRCACNA2D1
SCHEMBL28014411 0.73 TSHR (0.33) TSHR
SCHEMBL29128906 0.73 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL6133355 0.71 TSHR (0.34) TSHRCYP2D6CYP2C19LDHASRR
SCHEMBL11088380 0.71 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL9548177 0.71 CA2 (0.50) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075410-B Adhesive tape with polyurethane carrier 德莎欧洲股份公司 2023-03-14 CN disclosed