SCHEMBL8906990

SCHEMBL8906990

CCCCCN(c1ccc2nc(CCCC)n(-c3ccc(-c4ccccc4)c(C(=O)O)c3C)c2c1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
PTGES O14684 2/20 0.42
KEAP1 Q14145 5/20 0.42
NFE2L2 Q16236 5/20 0.42
BMP1 P13497 1/20 0.41
CAMK2A Q9UQM7 2/20 0.38
CNR2 P34972 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CAMK2G Q13555 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8905567 0.97 KEAP1 (0.42) ALOX5PTGESKEAP1NFE2L2BMP1
SCHEMBL8905536 0.94 ALOX5 (0.44) ALOX5PTGESL3MBTL1
SCHEMBL8907331 0.89 ALOX5 (0.40) ALOX5PTGES
SCHEMBL8907073 0.84 PTPN22 (0.43) ALOX5PTGESCNR2PTPN22
SCHEMBL8905550 0.82 AGTR1 (0.37)
SCHEMBL8906118 0.82 PPARG (0.37) EDNRAPPARG
SCHEMBL8905756 0.80 AGTR1 (0.37)
SCHEMBL8905540 0.79 AGTR1 (0.41) ALOX5PTGESPPARG
SCHEMBL8906787 0.78 AGTR2 (0.37)
SCHEMBL9095163 0.78 PPARG (0.65) PPARG

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed