SCHEMBL4280108

SCHEMBL4280108

C#CCN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.56
NFE2L2 Q16236 4/20 0.56
GLA P06280 1/20 0.53
PPARG P37231 1/20 0.46
TAS2R14 Q9NYV8 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL7961836 0.86 KEAP1 (0.68) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL1082207 0.86 GLA (0.69) KEAP1NFE2L2GLATAS2R14CNR2
SCHEMBL21595413 0.84 GLA (0.51) KEAP1NFE2L2GLATAS2R14L3MBTL1
SCHEMBL8607609 0.83 KEAP1 (0.64) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL9972493 0.81 KEAP1 (0.62) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL8200276 0.81 KEAP1 (0.62) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL8606028 0.79 CA9 (0.60) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL5190476 0.79 TAS2R14 (0.63) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL8607106 0.78 KEAP1 (0.57) KEAP1NFE2L2GLAPPARGTAS2R14
SCHEMBL21753821 0.78 GLA (0.54) GLACNR2

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
WO-2009153569-A2 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2009-12-23 WO disclosed