SCHEMBL7101348

SCHEMBL7101348

C/C=C(\OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
GLO1 Q04760 1/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
CYP2C9 P11712 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL7101351 1.00 NPSR1 (0.48) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL30241757 0.85 GAA (0.44) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL7039853 0.85 NPSR1 (0.45) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL7619035 0.84 NPSR1 (0.41) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL11174724 0.83 NPSR1 (0.43) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL27987785 0.83 ALDH1A1 (0.52) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL28121408 0.82 NPSR1 (0.46) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL11293043 0.81 ALDH1A1 (0.48) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL11422481 0.81 ALDH1A1 (0.48) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL27746218 0.81 ALDH1A1 (0.39) NPSR1GLO1ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090916-B1 4-methylene-1,3-dioxolanes having functional groups DAINIPPON INK & CHEMICALS (JP) 2003-09-03 EP disclosed
US-6388104-B1 ODORLESS CROSSLINKING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-14 US disclosed
EP-1090916-A1 4-methylene-1,3-dioxolanes having functional groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-04-11 EP disclosed