SCHEMBL28111323

SCHEMBL28111323

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.46
HPGD P15428 2/20 0.34
ALDH1A1 P00352 6/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 3/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL23964584 0.92 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL36451 0.92 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL27888179 0.88 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL28639653 0.88 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17947569 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5606160 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3273928 0.82 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11602284 0.82 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL28273566 0.81 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17448865 0.81 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A

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-104520342-B Method for producing (meth) acrylic resin composition, method for producing (meth) acrylic resin molded article, front panel of liquid crystal display device, and touch panel 三菱丽阳株式会社 2016-12-28 CN disclosed