SCHEMBL9548648

SCHEMBL9548648

CC(C)(C)[Si](C)(C)OC1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@]1(C)CO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 7/20 0.45
SLC28A1 O00337 1/20 0.37
SLC28A2 O43868 1/20 0.37
SLC29A1 Q99808 1/20 0.37
SLC28A3 Q9HAS3 1/20 0.37
P2RY14 Q15391 2/20 0.34
P2RY2 P41231 2/20 0.34
P2RY4 P51582 2/20 0.34
P2RY6 Q15077 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TOP2A P11388 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
SCHEMBL9548642 1.00 DUT (0.45) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9548666 0.91 DUT (0.44) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL19861834 0.91 DUT (0.44) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9548661 0.91 DUT (0.44) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL25396864 0.87 DUT (0.44) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9548733 0.87 DUT (0.42) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9548730 0.87 DUT (0.42) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9548646 0.87 DUT (0.42) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9548641 0.87 DUT (0.42) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL26274040 0.87 DUT (0.44) DUTSLC28A1SLC28A2SLC29A1SLC28A3

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed