SCHEMBL5730141

SCHEMBL5730141

Cc1sc(N2CCOCC2)nc1CCOc1[c]c(C#N)ccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 4/20 0.43
AR P10275 3/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5730998 0.76 PPARG (0.63) PPARGPPARAARMEN1KMT2A
SCHEMBL4896309 0.76 PPARG (0.49) PPARGPPARAARMEN1KMT2A
SCHEMBL4894869 0.76 PPARG (0.44) PPARGPPARAARMEN1KMT2A
SCHEMBL5730615 0.76 PPARG (0.49) PPARGPPARAARMEN1KMT2A
SCHEMBL5731070 0.76 PPARG (0.44) PPARGPPARA
SCHEMBL5730294 0.75 PPARG (0.52) PPARGPPARAARMEN1KMT2A
SCHEMBL4891675 0.74 PPARG (0.41) PPARGPPARAARMEN1KMT2A
SCHEMBL5730719 0.73 PPARG (0.43) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL5351329 0.73 PPARG (0.43) PPARGPPARAARMEN1KMT2A
SCHEMBL4896308 0.70 PPARG (0.67) PPARGPPARAARMEN1KMT2A

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-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed