SCHEMBL13468112

SCHEMBL13468112

C#CC[C@@H](O[C@H](CO)[C@H](C)O)n1ccc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PKM P14618 1/20 0.33
▸ CRBN Q96SW2 1/20 0.31
▸ DUT P33316 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC28A1 O00337 1/20 0.30
▸ SLC28A2 O43868 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ SLC28A3 Q9HAS3 1/20 0.30

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
SCHEMBL15739526 0.89 POLB (0.41) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL13469459 0.88 POLB (0.42) POLBHSD17B10PKMCRBNDUT
SCHEMBL23710654 0.88 POLB (0.52) POLBHSD17B10PKMCRBNDUT
SCHEMBL19303349 0.88 POLB (0.52) POLBHSD17B10PKMCRBNDUT
SCHEMBL13471838 0.88 POLB (0.52) POLBHSD17B10PKMCRBNDUT
SCHEMBL19204593 0.87 POLB (0.44) POLBHSD17B10PKMCRBNDUT
SCHEMBL19223339 0.85 POLB (0.45) POLBHSD17B10PKMCRBNDUT
SCHEMBL19223449 0.84 POLB (0.44) POLBHSD17B10PKMCRBNDUT
SCHEMBL9909470 0.82 POLB (0.43) POLBHSD17B10PKMCRBNDUT
SCHEMBL20998270 0.81 POLB (0.42) POLBHSD17B10PKMCRBNDUT

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
WO-2012142085-A1 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 — — WO disclosed
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