SCHEMBL29201836

SCHEMBL29201836

CCOC(=O)/C(C)=C(/CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.42
SOAT1 P35610 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL28688125 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL29201842 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL1593259 0.86 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL1593260 0.86 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GLO1SOAT1
Ammonia Solution, Strong SCHEMBL5308286 0.84 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL30422651 0.84 SOAT1 (0.46) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL305144 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL7770885 0.82 SOAT1 (0.44) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL7770890 0.82 SOAT1 (0.44) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL7772621 0.82 SOAT1 (0.44) ALDH1A1LMNAHSD17B10GLO1SOAT1

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-113840540-B Perfume or flavour mixture 西姆莱斯股份公司 2024-04-30 CN disclosed