SCHEMBL4628337

SCHEMBL4628337

O=S(=O)(CCCCO)NCCCCO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.44
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.33
GRIA1 P42261 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL13771498 0.88 RELA (0.57) RELACA2CA1ALDH1A1MEN1
SCHEMBL7097371 0.88 RELA (0.41) RELACA2CA1GRIA1
SCHEMBL7097536 0.88 RELA (0.41) RELACA2CA1GRIA1
SCHEMBL4628083 0.88 RELA (0.38) RELACA2CA1GRIA1ALDH1A1
SCHEMBL9357196 0.83 RELA (0.34) RELACA2ALDH1A1GAAPKM
SCHEMBL7098274 0.81 RELA (0.39) RELAALDH1A1GAAPKM
SCHEMBL7098650 0.81 RELA (0.39) RELAALDH1A1GAAPKM
SCHEMBL28412908 0.77 GRIA1 (0.37) CA2CA1GRIA1ALDH1A1CA12
SCHEMBL12856641 0.77 CA1 (0.52) CA2CA1GRIA1ALDH1A1CA12
SCHEMBL4556568 0.76 RELA (0.68) RELACA2CA1CA12CA9

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-1669060-B9 New sulfamide derivatives and their cosmetic use OREAL (FR) 2008-12-03 EP disclosed
EP-1669060-B1 New sulfamide derivatives and their cosmetic use OREAL (FR) 2008-05-07 EP disclosed