SCHEMBL5798276

SCHEMBL5798276

COc1ccc(CC2Sc3ccc(CON)cc3N(CC(=O)O)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
PPARG P37231 5/20 0.43
GAA P10253 1/20 0.42
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
HSD17B3 P37058 1/20 0.38
PDPK1 O15530 1/20 0.38
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5744163 0.92 MCL1 (0.52) MCL1PPARGGAAHSD17B3PDPK1
SCHEMBL5746779 0.87 MCL1 (0.46) MCL1PPARGGAAHSD17B3PDPK1
Hydroxyamine SCHEMBL5793019 0.84 MCL1 (0.51) MCL1PPARGGAAPDPK1SMN1; SMN2
SCHEMBL5796548 0.83 MCL1 (0.53) MCL1PPARGGAAPDPK1SMN1; SMN2
SCHEMBL5798279 0.82 PPARG (0.46) MCL1PPARGGAAHSD17B3SMN1; SMN2
Hydroxyamine SCHEMBL5797278 0.82 MCL1 (0.46) MCL1PPARGGAAHSD17B3PDPK1
SCHEMBL5747025 0.82 PPARG (0.45) MCL1PPARGGAAHSD17B3SMN1; SMN2
SCHEMBL5745589 0.81 MCL1 (0.47) MCL1PPARGGAAHSD17B3PDPK1
SCHEMBL5745145 0.80 PPARG (0.55) MCL1PPARGGAAHSD17B3SMN1; SMN2
SCHEMBL6847052 0.79 PPARG (0.54) MCL1PPARGGAAHSD17B3SMN1; SMN2

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 1 patent. 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