SCHEMBL7356128

SCHEMBL7356128

COc1cc(OC)cc(C(O)CCCCN)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.41
ADRA1A P35348 2/20 0.40
ADRA2A P08913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 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
SCHEMBL2082408 0.81 ADRA2A (0.53) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL7148668 0.81 ADRA2A (0.53) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL31143084 0.81 ADRA2A (0.53) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL7356118 0.81 ALDH1A1 (0.38) ADRA1AADRA2AL3MBTL1ALDH1A1TAAR1
SCHEMBL3183689 0.79 ALDH1A1 (0.44) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL6448011 0.79 ALDH1A1 (0.44) AOC3L3MBTL1ALDH1A1GAA
SCHEMBL6128581 0.79 ALDH1A1 (0.44) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL846120 0.75 ALDH1A1 (0.48) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL21674419 0.74 ADRA2A (0.46) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1
SCHEMBL21526725 0.73 ALDH1A1 (0.46) AOC3ADRA1AADRA2AL3MBTL1ALDH1A1

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-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 WO disclosed