SCHEMBL17285690

SCHEMBL17285690

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nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
OR51E2 Q9H255 2/20 0.41
MAPK1 P28482 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.33
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17285758 1.00 AKR1B1 (0.43) AKR1B1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL14539493 0.78
SCHEMBL8169661 0.78
SCHEMBL6442999 0.78
SCHEMBL2929955 0.75 MPI (0.38) OR51E2SLC22A6
SCHEMBL12521707 0.75 MPI (0.38) OR51E2SLC22A6
SCHEMBL15895242 0.75 MPI (0.38) OR51E2SLC22A6
SCHEMBL6754082 0.70
SCHEMBL28292844 0.70
Acetaldehyde SCHEMBL1410064 0.70 GRIK1 (0.34) OR51E2SLC22A6

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
US-20150337342-A1 BIOSYNTHETIC PATHWAYS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA 2015-11-26 US disclosed