SCHEMBL28008702

SCHEMBL28008702

CC(C)OC(=O)C(C)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 5/20 0.50
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL23673195 0.88 KMT2A (0.49) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL7261708 0.88 KMT2A (0.49) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL24374486 0.87 ALDH1A1 (0.47) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL16673135 0.86 ALDH1A1 (0.58) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL14408397 0.86 ALDH1A1 (0.58) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL16673248 0.85 MAPT (0.57) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL2384186 0.84 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL584761 0.84 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL584760 0.84 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15580652 0.83 ALDH1A1 (0.44) TSHRALDH1A1SLC1A3SLC1A2SLC1A1

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-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed