SCHEMBL16243141

SCHEMBL16243141

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OCC#N)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 4/20 0.33
▸ P2RY14 Q15391 4/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ P2RY4 P51582 1/20 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
▸ P2RY6 Q15077 3/20 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
SCHEMBL2107555 0.90 P2RY2 (0.36) P2RY2P2RY14TDP1P2RY4
SCHEMBL15892157 0.89 P2RY14 (0.36) P2RY2P2RY14TDP1P2RY4
SCHEMBL15841304 0.89 P2RY14 (0.36) P2RY2P2RY14TDP1P2RY4
SCHEMBL15850593 0.89 P2RY14 (0.36) P2RY2P2RY14TDP1P2RY4
SCHEMBL18902444 0.89 P2RY14 (0.36) P2RY2P2RY14TDP1P2RY4
SCHEMBL17853308 0.89 P2RY14 (0.36) P2RY2P2RY14TDP1P2RY4
SCHEMBL16243030 0.88 SLC28A1 (0.33) P2RY2P2RY14TDP1P2RY4SLC28A1
SCHEMBL25134191 0.87 SLC28A1 (0.33) P2RY2P2RY14TDP1P2RY4SLC28A1
SCHEMBL12114737 0.87 SLC28A1 (0.33) P2RY2P2RY14TDP1P2RY4SLC28A1
SCHEMBL1318144 0.87 SLC28A1 (0.33) P2RY2P2RY14TDP1P2RY4SLC28A1

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-20140350080-A1 INHIBITION OF VIRAL GENE EXPRESSION UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2014-11-27 — — US disclosed
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