SCHEMBL28564447

SCHEMBL28564447

C=C(C)C(=O)OCC(=C)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 4/20 0.46
ALDH1A1 P00352 7/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLO1 Q04760 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL19409375 0.87 THRB (0.64) THRBTSHRALDH1A1MAPTLMNA
SCHEMBL15030 0.87
SCHEMBL16884944 0.85 ALDH1A1 (0.45) THRBTSHRALDH1A1MAPTLMNA
SCHEMBL2258666 0.85 ALDH1A1 (0.54) THRBTSHRALDH1A1MAPTLMNA
SCHEMBL13219148 0.85 ALDH1A1 (0.46) THRBTSHRALDH1A1MAPTLMNA
Ammonia Solution, Strong SCHEMBL2598325 0.84
Charcoal, Activated SCHEMBL7592908 0.84
Ethane SCHEMBL21616541 0.84 THRB (0.61) THRBTSHRALDH1A1MAPTLMNA
Ethylene SCHEMBL340677 0.84 THRB (0.61) THRBTSHRALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL675826 0.84

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-112552483-A Self-induced photoepoxy methacrylate resin and synthetic method thereof 新丰见微化工实业有限公司 2021-03-26 CN claimed