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SCHEMBL13721968

SCHEMBL13721968

CO[C@H]1[C@@H](OC(C)=O)[C@H](n2ccc(=O)[nH]c2=O)O[C@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.35
▸ NT5E P21589 1/20 0.34
▸ DUT P33316 4/20 0.34
▸ SMYD2 Q9NRG4 2/20 0.33
▸ SLC28A1 O00337 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ SLC28A3 Q9HAS3 1/20 0.32
▸ P2RY2 P41231 2/20 0.32
▸ P2RY12 Q9H244 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ P2RY6 Q15077 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
SCHEMBL707765 0.94 TDP1 (0.35) TDP1NT5EDUTSMYD2SLC28A1
SCHEMBL13722085 0.93 TDP1 (0.38) TDP1NT5EDUTSMYD2SLC28A1
SCHEMBL13722465 0.86 TDP1 (0.32) TDP1NT5EDUTSMYD2
SCHEMBL20394005 0.85 TDP1 (0.40) TDP1NT5EDUTSMYD2P2RY2
SCHEMBL20394004 0.85 TDP1 (0.40) TDP1NT5EDUTSMYD2P2RY2
SCHEMBL703057 0.83 TDP1 (0.33) TDP1NT5EDUTSMYD2
SCHEMBL19605785 0.82 NT5E (0.39) NT5EDUTSMYD2SLC28A1SLC28A2
SCHEMBL19590302 0.82 NT5E (0.39) NT5EDUTSLC28A1SLC28A2SLC29A1
SCHEMBL29026476 0.82 DUT (0.38) NT5EDUTSMYD2SLC28A1SLC28A2
SCHEMBL22068875 0.82 DUT (0.38) NT5EDUTSMYD2SLC28A1SLC28A2

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-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed