SCHEMBL13721986

SCHEMBL13721986

CC(C)(C)[Si](C)(C)C[C@@]12CN(C(=O)COc3ccccc3)O[C@@H]([C@H](n3ccc(=O)[nH]c3=O)O1)[C@@H]2O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.39
P2RY6 Q15077 3/20 0.35
P2RY2 P41231 2/20 0.34
P2RY14 Q15391 2/20 0.34
DUT P33316 5/20 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
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL13721990 0.92 NT5E (0.35) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL13722113 0.90 NT5E (0.34) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL13722156 0.88 NT5E (0.39) NT5EP2RY6P2RY2P2RY14SLC28A1
SCHEMBL13722164 0.88 NT5E (0.39) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL13722314 0.82 P2RY6 (0.40) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL4078631 0.81 NT5E (0.36) NT5EP2RY6P2RY14DUT
SCHEMBL4078632 0.74 NT5E (0.40) NT5EP2RY6P2RY2P2RY14
SCHEMBL13721996 0.74 ABL1 (0.41) NT5EP2RY6P2RY2P2RY14
SCHEMBL13722327 0.74 P2RY14 (0.33) NT5EP2RY6P2RY2P2RY14
SCHEMBL4078638 0.74 NT5E (0.38) NT5EP2RY14DUT

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