SCHEMBL28448522

SCHEMBL28448522

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
CASP1 P29466 1/20 0.41
ALOX15 P16050 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
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
THRB P10828 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
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
SCHEMBL1492431 0.85 ALDH1A1 (0.45) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL29142924 0.81 ALDH1A1 (0.45) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL3896773 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL3294728 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL1417541 0.79 CASP1 (0.45) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL9462351 0.78 CASP1 (0.47) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL2799606 0.78 CASP1 (0.47) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL135322 0.78 ALOX15 (0.46) ALDH1A1ALOX15SLC7A5LMNAHSD17B10
SCHEMBL6389387 0.78 ALOX15 (0.46) ALDH1A1ALOX15SLC7A5LMNAHSD17B10
SCHEMBL196141 0.78 ALOX15 (0.46) ALDH1A1ALOX15SLC7A5LMNAHSD17B10

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-109320654-B Tetrahydroxy stilbene glucoside adsorption material and preparation method thereof 贵州省化工研究院 2020-07-31 CN disclosed