SCHEMBL9799485

SCHEMBL9799485

CCCCCCCCCCCCc1ccccc1S(=O)(=O)O.COC(=O)c1nc2cccc(N)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.39
TLR8 Q9NR97 4/20 0.37
PPARA Q07869 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
ASAH1 Q13510 1/20 0.34

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
SCHEMBL55693 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBHSD17B10
Urea SCHEMBL11435786 0.73 LIPG (0.49) PPARA
Hydrazine SCHEMBL28870578 0.73 LIPG (0.51) PPARA
SCHEMBL10598568 0.73 LIPG (0.51) PPARA
SCHEMBL11409276 0.73 LIPG (0.54) PPARA
SCHEMBL150981 0.73 LIPG (0.54) PPARA
SCHEMBL6471485 0.73 LIPG (0.54) PPARA
SCHEMBL157655 0.73 LIPG (0.54) PPARA
SCHEMBL21121138 0.73 LIPG (0.54) PPARA
SCHEMBL153186 0.73 LIPG (0.54) PPARA

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-5028497-A Iodine containing compounds and/or benzimidazoles SONY CORPORATION (JP) 1991-07-02 US disclosed