SCHEMBL20924835

SCHEMBL20924835

CCOC(=O)/C(=C/C(=O)OC)NN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 6/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL286131 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL286129 0.82 HCAR2 (0.40) ALDH1A1HCAR2KEAP1NFE2L2
SCHEMBL286132 0.82 HCAR2 (0.40) ALDH1A1HCAR2KEAP1NFE2L2
SCHEMBL286130 0.82 HCAR2 (0.40) ALDH1A1HCAR2KEAP1NFE2L2
SCHEMBL11146148 0.79 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11146174 0.79 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10430506 0.79 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10414396 0.77 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10414395 0.77 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL15709069 0.75 NPSR1 (0.61) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed