SCHEMBL5746779

SCHEMBL5746779

COc1ccc(CC2Sc3ccc(CO[Si](C)(C)C(C)(C)C)cc3N(CC(=O)O)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
PPARG P37231 5/20 0.40
GAA P10253 1/20 0.39
HSD17B3 P37058 1/20 0.35
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 1/20 0.33
AKR1B1 P15121 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5747320 0.92 PPARG (0.50) MCL1PPARGGAAHSD17B3ALDH1A1
SCHEMBL5798276 0.87 MCL1 (0.50) MCL1PPARGGAAHSD17B3PDPK1
SCHEMBL5744163 0.87 MCL1 (0.52) MCL1PPARGGAAHSD17B3PDPK1
SCHEMBL5745589 0.80 MCL1 (0.47) MCL1PPARGGAAHSD17B3PDPK1
SCHEMBL5796548 0.79 MCL1 (0.53) MCL1PPARGGAAPDPK1ALDH1A1
Hydroxyamine SCHEMBL5797278 0.79 MCL1 (0.46) MCL1PPARGGAAHSD17B3PDPK1
Hydroxyamine SCHEMBL5793019 0.77 MCL1 (0.51) MCL1PPARGGAAPDPK1ALDH1A1
SCHEMBL5747025 0.77 PPARG (0.45) MCL1PPARGGAAHSD17B3ALDH1A1
SCHEMBL5745145 0.76 PPARG (0.55) MCL1PPARGGAAHSD17B3ALDH1A1
SCHEMBL21783138 0.74 MCL1 (0.67) MCL1PPARGGAAHSD17B3ALDH1A1

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 4 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
EP-1173427-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-01-23 EP disclosed
WO-2000063197-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-10-26 WO disclosed