SCHEMBL30867007

SCHEMBL30867007

N#C[C@@]1(n2ccc(=O)[nH]c2=O)CC[C@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.37
PPM1B O75688 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
DUT P33316 2/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7919856 0.82 DUT (0.42) DUT
SCHEMBL21100114 0.81 POLB (0.44) POLBHSD17B10MEN1KMT2AUSP2
SCHEMBL13470512 0.81 SLC28A1 (0.35)
SCHEMBL13454882 0.80 POLB (0.41) POLBHSD17B10MEN1KMT2AUSP2
SCHEMBL30867005 0.76 MAPT (0.33) POLBMEN1KMT2ANPC1PPM1B
SCHEMBL30002440 0.74 POLB (0.49) POLBHSD17B10MEN1KMT2AUSP2
SCHEMBL16730063 0.74 POLB (0.49) POLBHSD17B10MEN1KMT2AUSP2
SCHEMBL17968546 0.74 POLB (0.49) POLBHSD17B10MEN1KMT2AUSP2
SCHEMBL13471834 0.73 POLB (0.48) POLBHSD17B10MEN1KMT2AUSP2
SCHEMBL13454850 0.73 POLB (0.44) POLBHSD17B10MEN1KMT2AUSP2

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-117858711-A Nucleoside and nucleotide analogs as antiviral agents 爱莫里大学 2024-04-09 CN disclosed