SCHEMBL28190290

SCHEMBL28190290

C=C(C)C(=O)OCC.C=C(C)C(=O)OCC(O)CCl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
THRB P10828 1/20 0.44
ALDH1A1 P00352 8/20 0.38
CASP1 P29466 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL129034 0.93 TSHR (0.59) TSHRTHRBALDH1A1MAPTSMN1; SMN2
SCHEMBL28832982 0.91 TSHR (0.57) TSHRTHRBALDH1A1MAPTSMN1; SMN2
Acetic Acid SCHEMBL9818657 0.89 TSHR (0.55) TSHRTHRBALDH1A1MAPTSMN1; SMN2
Trimethylammonium SCHEMBL5577122 0.88 TSHR (0.53) TSHRTHRBALDH1A1
Acrylic Acid SCHEMBL8853534 0.83 TSHR (0.49) TSHRTHRBALDH1A1LMNAHSD17B10
Methylene Chloride SCHEMBL28244287 0.81 THRB (0.57) TSHRTHRBALDH1A1CASP1GLO1
SCHEMBL94906 0.81 TSHR (0.68) TSHRTHRBALDH1A1LMNAMAPT
SCHEMBL3632671 0.80 TSHR (0.62) TSHRTHRBALDH1A1CASP1CYP2D6
SCHEMBL137371 0.80 TSHR (0.61) TSHRTHRBALDH1A1LMNAHSD17B10
SCHEMBL19998240 0.79 TSHR (0.65) TSHRTHRBALDH1A1LMNAMAPT

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-107430237-A Polarizing coating curing type adhesive composite, polarizing coating and its manufacture method, optical film and image display device 日东电工株式会社 2017-12-01 CN disclosed