SCHEMBL28080246

SCHEMBL28080246

C=C(CC(=O)OC(=O)/C=C\C(=O)O)C(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR2 Q8TDS4 9/20 0.42
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL17010769 1.00 ALOX15 (0.42) ALOX15HSD17B10HCAR2TSHRTP53
SCHEMBL28080156 0.96 ALOX15 (0.42) ALOX15HSD17B10HCAR2TSHRTP53
SCHEMBL2193808 0.92 ALOX15 (0.43) ALOX15HSD17B10HCAR2
SCHEMBL21628056 0.85 HCAR2 (0.42) ALOX15HSD17B10HCAR2TSHRTP53
SCHEMBL676004 0.85 HCAR2 (0.42) ALOX15HSD17B10HCAR2TSHRTP53
Itaconate SCHEMBL20487589 0.83 ALOX15 (0.59) ALOX15HSD17B10HCAR2TSHRTP53
SCHEMBL1038088 0.82 HCAR2 (0.54) ALOX15HSD17B10HCAR2TSHRTP53
SCHEMBL2128323 0.81 ALOX15 (0.38) ALOX15HSD17B10
SCHEMBL27456989 0.81 ALOX15 (0.38) ALOX15HSD17B10
Acrylic Acid Methyl Ester SCHEMBL28077203 0.80 ALOX15 (0.40) ALOX15HSD17B10HCAR2KDM4EALDH1A1

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-103154006-B Process for preparing acryloxysilanes 道康宁公司 2016-07-06 CN disclosed