SCHEMBL8990627

SCHEMBL8990627

CCCCCCCCCCCCCCCCc1ccccc1OS(=O)(=O)Oc1ccccc1CCCCCCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
PPARA Q07869 3/20 0.49
LIPG Q9Y5X9 1/20 0.49
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
PPARG P37231 2/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
MGLL Q99685 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL6838738 1.00 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL8990370 1.00 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL11654900 1.00 THRA (0.55) THRATHRBPPARALIPGALOX5
SCHEMBL29617961 0.98 THRA (0.54) THRATHRBPPARALIPGALOX5
SCHEMBL11791849 0.98 THRA (0.52) THRATHRBPPARALIPGALOX5
SCHEMBL8399836 0.91 THRA (0.50) THRATHRBPPARALIPGALOX5
SCHEMBL4828617 0.91 THRA (0.50) THRATHRBPPARALIPGALOX5
SCHEMBL9775776 0.90 THRA (0.49) THRATHRBPPARALIPGALOX5
SCHEMBL7851049 0.89 THRA (0.48) THRATHRBPPARALIPGALOX5
SCHEMBL9787332 0.88 THRA (0.48) THRATHRBPPARALIPGALOX5

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-5498602-A VIRICIDE ACTIVE AGAINST HIV DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-03-12 US disclosed