SCHEMBL4081020

SCHEMBL4081020

CC(C)(C)[Si](OC[C@@]12CO[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@@H]2O)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.40
NT5E P21589 1/20 0.39
DUT P33316 6/20 0.37
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
SMYD2 Q9NRG4 2/20 0.35
P2RY14 Q15391 2/20 0.34
P2RY2 P41231 2/20 0.34
P2RY12 Q9H244 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
SCHEMBL4084077 1.00 P2RY6 (0.40) P2RY6NT5EDUTSLC28A1SLC28A2
SCHEMBL13722080 1.00 P2RY6 (0.40) P2RY6NT5EDUTSLC28A1SLC28A2
SCHEMBL13722051 0.90 DUT (0.36) P2RY6NT5EDUTSMYD2P2RY2
SCHEMBL4083979 0.88 NT5E (0.41) P2RY6NT5EDUTSLC28A1SLC28A2
SCHEMBL15689751 0.86 TK1 (0.38) NT5E
SCHEMBL1716526 0.86 TK1 (0.38) NT5E
SCHEMBL15074429 0.86 DUT (0.37) P2RY6NT5EDUTSMYD2P2RY14
SCHEMBL4078213 0.83 P2RY6 (0.33) P2RY6NT5EDUTSMYD2
SCHEMBL10293414 0.81 DUT (0.45) P2RY6DUTSLC28A1SLC28A2SLC29A1
SCHEMBL19590312 0.81 P2RY6 (0.40) P2RY6NT5EDUTSLC28A1SLC28A2

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