SCHEMBL19751920

SCHEMBL19751920

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
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
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.34
FAAH O00519 2/20 0.33
KMT2A Q03164 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
SCHEMBL9676716 0.78 ALDH1A1 (0.46) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL14533248 0.77 ALDH1A1 (0.52) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL35720 0.77
SCHEMBL5709255 0.76 ALDH1A1 (0.44) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL14922893 0.76 ALDH1A1 (0.40) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL10266670 0.76 ALDH1A1 (0.47) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL323091 0.75
Methyl Alcohol SCHEMBL29084611 0.75 ALDH1A1 (0.50) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL36653 0.75
SCHEMBL18106342 0.74 ALDH1A1 (0.45) ALDH1A1TSHREGLN1MAPTNPSR1

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-3260461-A1 PHOSPHITE COMPOUND, METHOD FOR PRODUCING THE SAME AND USES THEREOF Sumitomo Chemical Company, Ltd. (JP) 2017-12-27 EP disclosed