SCHEMBL7940751

SCHEMBL7940751

C=CC(=O)On1c(=O)n(CCO)c(=O)n(OC(=O)C=C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL9266437 0.88 TSHR (0.46) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL452728 0.83 TSHR (0.34) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL15191893 0.81 TSHR (0.35) TSHRALDH1A1TP53CYP3A4HIF1A
SCHEMBL9270167 0.80 TSHR (0.43) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL776295 0.76 TSHR (0.55) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL230828 0.76 TSHR (0.55) TSHRALDH1A1TP53CYP3A4MAPK1
Acrylic Acid SCHEMBL29353746 0.74 LMNA (0.43) TSHRCYP3A4
Acrylic Acid SCHEMBL29353386 0.74 LMNA (0.43) TSHRCYP3A4
Acrylic Acid SCHEMBL2396208 0.74 LMNA (0.43) TSHRCYP3A4
Acrylamide SCHEMBL9490095 0.72 TSHR (0.46) TSHRALDH1A1CYP3A4

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
US-6254958-B1 CURABLE COPOLYMER OF N-ALKOXYMETHYLACRYLAMIDE AND ACRYLOYLOXY ALKYL TRIALKYL AMMONIUM ALKYL SULFATE, PHOTOINITIATOR AND GRAIN FLOUR; HIGH SPEED INK ABSORPTION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed