SCHEMBL27680455

SCHEMBL27680455

C=C(C)C(=O)NOC(=O)ONC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.32
CRBN Q96SW2 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
NFKB1 P19838 1/20 0.30

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
SCHEMBL9845208 0.90 ALDH1A1 (0.44) ALDH1A1TDP1TGFBR1KDM4ERXFP1
SCHEMBL27851518 0.84 ALDH1A1 (0.48) ALDH1A1TDP1TGFBR1KDM4EHSD17B10
SCHEMBL9846986 0.84 ALDH1A1 (0.42) ALDH1A1TDP1TGFBR1KDM4EHSD17B10
SCHEMBL8981771 0.82 ALDH1A1 (0.52) ALDH1A1TDP1TGFBR1KDM4EHSD17B10
SCHEMBL28077404 0.82 TDP1 (0.46) ALDH1A1TDP1TGFBR1KDM4EHSD17B10
SCHEMBL503294 0.82 ALDH1A1 (0.52) ALDH1A1TDP1TGFBR1KDM4EHSD17B10
SCHEMBL5830371 0.82 ALDH1A1 (0.40) ALDH1A1TDP1TGFBR1KDM4EHSD17B10
Acetone SCHEMBL27591806 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TGFBR1KDM4E
SCHEMBL28651888 0.80 TSHR (0.38) ALDH1A1TGFBR1
SCHEMBL27851519 0.78 ALDH1A1 (0.42) ALDH1A1TDP1TGFBR1KDM4E

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-1898082-B Promoted organoborane amine complex initiated polymerizable compositions DOW GLOBAL TECHNOLOGIES INC 2010-09-29 CN disclosed
CN-1898082-A Promoted organoborane amine complex initiated polymerizable compositions DOW GLOBAL TECHNOLOGIES INC (US) 2007-01-17 CN disclosed