SCHEMBL9768653

SCHEMBL9768653

CCCCCCCCc1cc[c]c(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
FUT7 Q11130 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGS2 P35354 3/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7041959 0.79 CA2 (0.40) CA2KAT8CA1ALDH1A1HSD17B10
SCHEMBL9319789 0.79 THRB (0.40) THRATHRBALDH1A1CYP3A4
SCHEMBL9320461 0.79 THRB (0.40) THRATHRBALDH1A1CYP3A4
SCHEMBL9319769 0.79 THRB (0.40) THRATHRBALDH1A1CYP3A4
SCHEMBL11715151 0.77 PTGS2 (0.43) KAT8PPARALPLLIPGPTGS2
SCHEMBL15067040 0.76 PTGS2 (0.46) KAT8PPARALPLLIPGPTGS2
SCHEMBL15067049 0.76 PTGS2 (0.46) KAT8PPARALPLLIPGPTGS2
SCHEMBL15067037 0.76 PTGS2 (0.46) KAT8PPARALPLLIPGPTGS2
SCHEMBL11384499 0.75 SKP2 (0.44) KAT8PPARALPLLIPGPTGS2
SCHEMBL1778966 0.75 PTGS2 (0.44) KAT8PPARALPLLIPGPTGS2

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-5071729-A Discoloration inhibitor releasing compound FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed