SCHEMBL28519243

SCHEMBL28519243

C=C(C(=O)OC)C(Cl)CCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
CA1 P00915 4/20 0.43
ZDHHC7 Q9NXF8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.34
TSHR P16473 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
SLC15A1 P46059 1/20 0.33
EPHX1 P07099 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
SCHEMBL28039478 0.80 ALDH1A1 (0.41) CA2CA1ALDH1A1
SCHEMBL28128807 0.79 CA1 (0.44) CA2CA1ZDHHC7ALDH1A1CTSK
SCHEMBL6657457 0.78 CA2 (0.43) CA2CA1ZDHHC7ALDH1A1CTSK
SCHEMBL10733705 0.76 CA2 (0.59) CA2CA1ZDHHC7MAPK1TSHR
SCHEMBL9745494 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28328233 0.75 ABCB1 (0.47) CA2CA1ZDHHC7ALDH1A1CTSK
SCHEMBL29059313 0.74 CA1 (0.50) CA2CA1ZDHHC7TSHR
SCHEMBL11374103 0.74 ZDHHC7 (0.49) CA2CA1ZDHHC7EPHX1
SCHEMBL11364778 0.74 ZDHHC7 (0.49) CA2CA1ZDHHC7EPHX1
SCHEMBL6975173 0.74 GPR84 (0.50) CA2CA1ZDHHC7TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300306-B Biodegradable radiation-curable (methyl) acrylate and preparation method thereof 广东石油化工学院 2022-03-29 CN claimed
CN-112300306-A Biodegradable radiation-curable (methyl) acrylate and preparation method thereof 广东石油化工学院 2021-02-02 CN claimed
CN-112300306-B Biodegradable radiation-curable (methyl) acrylate and preparation method thereof 广东石油化工学院 2022-03-29 CN disclosed
CN-112300306-A Biodegradable radiation-curable (methyl) acrylate and preparation method thereof 广东石油化工学院 2021-02-02 CN disclosed