SCHEMBL7464162

SCHEMBL7464162

CC(C)(C)OC(=O)N[C@H](CN(c1ccccc1)S(C)(=O)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
ACE P12821 1/20 0.48
PPARD Q03181 2/20 0.47
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MMP13 P45452 2/20 0.45
CTSS P25774 5/20 0.45
CTSK P43235 4/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44

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
SCHEMBL3935572 0.83 PPARA (0.54) PPARAPPARGACEPPARDIDO1
SCHEMBL3935560 0.83 PPARA (0.54) PPARAPPARGACEPPARDIDO1
SCHEMBL31407563 0.82 PPARA (0.53) PPARAPPARGACEPPARDIDO1
SCHEMBL625897 0.77 PPARA (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL625898 0.77 PPARA (0.48) PPARAPPARGACEPPARDIDO1
SCHEMBL28009771 0.75 ALDH1A1 (0.44) PPARAPPARGACEPPARDIDO1
SCHEMBL28009772 0.75 ALDH1A1 (0.44) PPARAPPARGACEPPARDIDO1
SCHEMBL29866102 0.75 PPARA (0.57) PPARAPPARGACEPPARDIDO1
SCHEMBL26932496 0.75 PPARA (0.57) PPARAPPARGACEPPARDIDO1
SCHEMBL556571 0.75 PPARA (0.57) PPARAPPARGACEPPARDIDO1

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-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO disclosed