SCHEMBL5745589

SCHEMBL5745589

COc1ccc(CC2Sc3ccc(C(=O)OC(C)(C)C)cc3N(CC(=O)O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
GAA P10253 1/20 0.44
PPARG P37231 4/20 0.39
DRD2 P14416 1/20 0.38
SRC P12931 5/20 0.36
HSD17B3 P37058 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
GSK3B P49841 1/20 0.36
PDPK1 O15530 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
Hydroxyamine SCHEMBL5797278 0.98 MCL1 (0.46) MCL1GAAPPARGDRD2SRC
SCHEMBL5745384 0.90 PPARG (0.49) MCL1GAAPPARGDRD2SMN1; SMN2
SCHEMBL5794846 0.86 PPARG (0.45) MCL1GAAPPARGDRD2
SCHEMBL5745592 0.84 GAA (0.39) MCL1GAAPPARGDRD2HSD17B3
SCHEMBL5745194 0.83 MCL1 (0.50) MCL1GAAPPARGHSD17B3HTT
SCHEMBL5744163 0.83 MCL1 (0.52) MCL1GAAPPARGHSD17B3SMN1; SMN2
SCHEMBL5798276 0.81 MCL1 (0.50) MCL1GAAPPARGHSD17B3SMN1; SMN2
SCHEMBL5746078 0.81 PPARG (0.53) MCL1GAAPPARGDRD2HSD17B3
SCHEMBL5746254 0.81 PPARG (0.45) MCL1GAAPPARGSRC
SCHEMBL5796548 0.80 MCL1 (0.53) MCL1GAAPPARGSMN1; SMN2L3MBTL1

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