SCHEMBL28480641

SCHEMBL28480641

C=C(C(=O)OCC)C(=O)OCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TRPA1 O75762 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL28293945 0.86 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL79588 0.86 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
Ammonia Solution, Strong SCHEMBL28294025 0.84 ALDH1A1 (0.54) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL28099320 0.84 ALDH1A1 (0.54) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL8974548 0.83 ALDH1A1 (0.45) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL6657389 0.82 ALDH1A1 (0.48) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL13269637 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL21450838 0.81 THRB (0.47) ALDH1A1MAPTTSHRNPSR1GLO1
Acetic Acid SCHEMBL28826956 0.79 ALDH1A1 (0.55) ALDH1A1MAPTTSHRNPSR1GLO1
SCHEMBL19679991 0.79 THRB (0.54) ALDH1A1MAPTTSHRNPSR1GLO1

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-111825785-A Emulsion polymers, emulsion processes and polymer compositions comprising one or more 1, 1-disubstituted alkene compounds 赛鲁斯股份有限公司 2020-10-27 CN claimed