SCHEMBL28697143

SCHEMBL28697143

CCOC=C(OCC)C(=O)OO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2778172 0.87 NPSR1 (0.43) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL6074988 0.87 NPSR1 (0.43) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL28787713 0.80 ALDH1A1 (0.34) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL27818760 0.80 HCAR2 (0.37) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL11109345 0.78 ALDH1A1 (0.44) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL2030377 0.78 ALDH1A1 (0.40) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL2030378 0.78 ALDH1A1 (0.40) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL28111664 0.77 ALOX15 (0.46) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL8994676 0.76 KMT2A (0.38) ALDH1A1NPSR1LMNACYP1A2MEN1
SCHEMBL27298939 0.76 GAA (0.34) ALDH1A1NPSR1GLO1LMNAHSD17B10

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-114085165-B Cyano modified acrylic resin containing alpha-H, and preparation method and application thereof 湖北中科博宏新材料科技有限公司 2024-01-09 CN disclosed
CN-114085165-A alpha-H-containing cyano modified acrylate resin and preparation method and application thereof 新丰博兴聚合材料有限公司 2022-02-25 CN disclosed