SCHEMBL16350596

SCHEMBL16350596

COc1ccc(C(OC[C@H]2C[C@H](n3ccc(NC(=O)OC(C)(C)C)nc3=O)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TYMP P19971 2/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
NT5E P21589 2/20 0.32
P2RY6 Q15077 2/20 0.32
P2RY14 Q15391 2/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30

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
SCHEMBL14066268 0.92 POLB (0.41) POLBTYMPABL1RIN1NT5E
SCHEMBL12197508 0.91 POLB (0.43) POLBTYMPABL1RIN1NT5E
SCHEMBL874315 0.90 POLB (0.49) POLBTYMPABL1RIN1NT5E
SCHEMBL12197787 0.87 POLB (0.40) POLBTYMPABL1RIN1NT5E
SCHEMBL837389 0.87 POLB (0.40) POLBTYMPABL1RIN1NT5E
SCHEMBL10095143 0.86 POLB (0.39) POLBTYMPABL1RIN1NT5E
SCHEMBL10095196 0.86 POLB (0.39) POLBTYMPABL1RIN1NT5E
SCHEMBL13036642 0.85 TYMP (0.38) POLBTYMPP2RY6SLC6A1SLC6A11
SCHEMBL838369 0.81 POLB (0.38) POLBABL1RIN1
SCHEMBL14066269 0.81 POLB (0.50) POLBTYMPABL1RIN1NT5E

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-7888367-B2 reverse transcriptase mutants which allow an obligate chain terminating nucleoside- or nucleotide phosphate to be excised from the nascent DNA strand by ATP- or pyrophosphate-mediated excision MEDIVIR AB (SE) 2011-02-15 US disclosed