SCHEMBL28840951

SCHEMBL28840951

C=CC(=O)OCC(=C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.36
ALOX15 P16050 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL6374664 0.81 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL28082179 0.79 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27488180 0.78 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL351718 0.77 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10SMN1; SMN2THRB
SCHEMBL1658732 0.77 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2850630 0.77 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28872505 0.77 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28253504 0.77 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL27473899 0.76 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL28229230 0.76 ALDH1A1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115734875-A Optical film, method for producing optical film, transparent conductive film, and gas barrier film 琳得科株式会社 2023-03-03 CN disclosed
CN-115038728-A Photocurable composition 捷恩智株式会社 2022-09-09 CN disclosed