SCHEMBL28513604

SCHEMBL28513604

CCOC(OCC)(OCC)C(=O)CC(=O)OC(C)(C)C.[Zr]

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28907069 0.96 CYP2D6 (0.33) CYP2D6DGAT1MGAMGAASI
SCHEMBL28907063 0.82 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL28519182 0.80 GAA (0.56) MGAMGAASIMGAM2CYP1A2
SCHEMBL28520853 0.78 MGAM (0.41) MGAMGAASIMGAM2
SCHEMBL28528269 0.76 GAA (0.56) MGAMGAASIMGAM2CYP1A2
SCHEMBL30534799 0.75 MGAM (0.37) MGAMGAASIMGAM2HTT
SCHEMBL6206868 0.74 DGAT1 (0.39) CYP2D6DGAT1GAACA12CA14
SCHEMBL30534810 0.74 TDP1 (0.38) MGAMGAASIMGAM2TDP1
SCHEMBL12203255 0.74 DGAT1 (0.35) CYP2D6DGAT1MGAMGAASI
SCHEMBL241533 0.73 DGAT1 (0.46) CYP2D6DGAT1MGAMGAASI

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-107431096-B Rectifier element, method for manufacturing the same, and wireless communication device 东丽株式会社 2021-01-15 CN disclosed