SCHEMBL5797144

SCHEMBL5797144

COc1ccc(CC2Sc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
PPARG P37231 5/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
CCKBR P32239 1/20 0.43
SRC P12931 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5793022 0.88 PPARG (0.48) GSK3BPPARGLMNAHTTSMN1; SMN2
SCHEMBL5796548 0.86 MCL1 (0.53) GSK3BPPARGLMNAHTTSMN1; SMN2
SCHEMBL5746254 0.85 PPARG (0.45) PPARGTHRBCCKBRSRC
Hydroxyamine SCHEMBL5793019 0.85 MCL1 (0.51) GSK3BPPARGLMNAHTTSMN1; SMN2
SCHEMBL5746821 0.84 LMNA (0.53) LMNAHTTSMN1; SMN2TSHRL3MBTL1
SCHEMBL5794846 0.83 PPARG (0.45) PPARGLMNATP53MAPT
SCHEMBL4972058 0.81 GSK3B (0.49) GSK3BPPARGLMNAHTTSMN1; SMN2
SCHEMBL5745384 0.79 PPARG (0.49) PPARGLMNAHTTSMN1; SMN2TP53
SCHEMBL5747678 0.78 TSHR (0.49) LMNAHTTSMN1; SMN2MAPTTSHR
SCHEMBL5745589 0.78 MCL1 (0.47) GSK3BPPARGHTTSMN1; SMN2SRC

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