SCHEMBL8211583

SCHEMBL8211583

COc1ccc2nc(COc3ccc(CC(SC)C(=O)NC=O)cc3)n(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.51
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL14198125 0.88 PPARG (0.53) PPARGTP53SMN1; SMN2
SCHEMBL6703328 0.87 PPARG (0.55) PPARGTP53SMN1; SMN2
SCHEMBL6700640 0.86 PPARG (0.53) PPARGTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6697808 0.86 PPARG (0.55) PPARGTP53SMN1; SMN2
SCHEMBL6697787 0.86 PPARG (0.54) PPARGTP53SMN1; SMN2
SCHEMBL16366773 0.83 PPARG (0.53) PPARGTP53SMN1; SMN2
SCHEMBL6700207 0.82 PPARG (0.54) PPARGTP53SMN1; SMN2
SCHEMBL14159382 0.80 PPARG (0.52) PPARGTP53SMN1; SMN2
SCHEMBL6700128 0.80 PPARG (0.45) PPARG
SCHEMBL6700598 0.80 PPARG (0.57) PPARGTP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019154958-A1 USE OF MODULATORS OF NEET PROTEINS FOR THE TREATMENT OF INFECTION ENYO PHARMA (FR) 2019-08-15 WO disclosed
WO-2008028914-A1 COMBINATION TREATMENT FOR DIABETES MELLITUS NYCOMED GMBH (DE) 2008-03-13 WO disclosed