SCHEMBL17612285

SCHEMBL17612285

CC(=O)/C=C\N(C(C)=O)[C@H]1O[C@@H](COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LGALS9 O00182 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAPDH P04406 2/20 0.38
▸ PTPN1 P18031 5/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRAS P01112 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL15095554 0.92 USP2 (0.45) POLBMEN1USP2KMT2ALGALS9
SCHEMBL21059437 0.77 LGALS9 (0.55) POLBMEN1USP2KMT2ALGALS9
SCHEMBL16377091 0.76 ALDH1A1 (0.41) POLBMEN1USP2KMT2AALDH1A1
SCHEMBL17612310 0.76 POLB (0.50) POLBMEN1USP2KMT2ALGALS9
SCHEMBL21082629 0.76 POLB (0.50) POLBMEN1USP2KMT2ALGALS9
SCHEMBL13871575 0.76 POLB (0.50) POLBMEN1USP2KMT2ALGALS9
SCHEMBL14209005 0.76 POLB (0.50) POLBMEN1USP2KMT2ALGALS9
SCHEMBL14356282 0.75 LGALS9 (0.54) POLBMEN1USP2KMT2ALGALS9
SCHEMBL13184475 0.75 PTPN1 (0.48) POLBMEN1USP2KMT2ALGALS9
SCHEMBL13496124 0.75 PTPN1 (0.48) POLBMEN1USP2KMT2ALGALS9

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-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 — — US disclosed
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