SCHEMBL5746254

SCHEMBL5746254

COC(=O)c1ccc2c(c1)SC(Cc1ccc(OC)cc1)C(=O)N2CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
GAA P10253 1/20 0.42
MCL1 Q07820 1/20 0.39
CCKBR P32239 1/20 0.38
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL5745194 0.88 MCL1 (0.50) PPARGGAAMCL1ALDH1A1THRB
SCHEMBL5794846 0.85 PPARG (0.45) PPARGGAAMCL1ALDH1A1KMT2A
SCHEMBL5797144 0.85 GSK3B (0.47) PPARGCCKBRTHRBSRC
SCHEMBL5745384 0.82 PPARG (0.49) PPARGGAAMCL1ALDH1A1KMT2A
SCHEMBL5745589 0.81 MCL1 (0.47) PPARGGAAMCL1SRC
SCHEMBL5747286 0.81 GAA (0.47) PPARGGAAMCL1ALDH1A1THRB
Hydroxyamine SCHEMBL5797278 0.80 MCL1 (0.46) PPARGGAAMCL1SRC
SCHEMBL5747345 0.79 PPARG (0.54) PPARGGAAMCL1ALDH1A1KMT2A
SCHEMBL5745670 0.77 PPARG (0.52) PPARGGAAMCL1KMT2A
SCHEMBL5746078 0.77 PPARG (0.53) PPARGGAAMCL1ALDH1A1

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-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed