SCHEMBL6167503

SCHEMBL6167503

CC(C(=O)O)(C1CCCC1)S(=O)(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
EPHX1 P07099 1/20 0.31
CHRM3 P20309 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL22341281 0.70 KEAP1 (0.38) KEAP1NFE2L2EPHX1CHRM3SSTR4
SCHEMBL27470523 0.70 CA12 (0.31) EPHX1SSTR4
SCHEMBL1046906 0.70 SSTR4 (0.33) EPHX1SSTR4
SCHEMBL5949599 0.69 KEAP1 (0.30) KEAP1NFE2L2
SCHEMBL11814849 0.69 KEAP1 (0.41) KEAP1NFE2L2EPHX1CHRM3SSTR4
SCHEMBL6255794 0.69 KEAP1 (0.41) KEAP1NFE2L2EPHX1CHRM3SSTR4
SCHEMBL4728809 0.69 KEAP1 (0.41) KEAP1NFE2L2EPHX1CHRM3SSTR4
SCHEMBL7871768 0.68 EPHX1 (0.37) KEAP1NFE2L2EPHX1CHRM3SSTR4
SCHEMBL29004544 0.67 EPHX1 (0.44) EPHX1SSTR4
SCHEMBL1876976 0.67 EPHX1 (0.39) KEAP1NFE2L2EPHX1CHRM3SSTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 WO disclosed