SCHEMBL6988862

SCHEMBL6988862

CCOS(=O)(=O)c1ccc(C)c(-c2nc(-c3cccc(Br)c3)oc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
TARBP2 Q15633 1/20 0.34

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
SCHEMBL6705288 0.89 TARBP2 (0.39) PPARGPPARATP53NPC1SMN1; SMN2
SCHEMBL6986435 0.89 TARBP2 (0.46) PPARGPPARAMAPTTP53NPC1
SCHEMBL5218987 0.89 TARBP2 (0.42) PPARGTP53SMN1; SMN2MEN1KMT2A
SCHEMBL6703700 0.87 TARBP2 (0.46) PPARGMAPTNPC1SMN1; SMN2MEN1
SCHEMBL6987242 0.84 NPC1 (0.39) PPARGPPARAMAPTTP53NPC1
SCHEMBL6990599 0.84 FLT1 (0.38) MAPTTP53NPC1MEN1KMT2A
SCHEMBL27607598 0.84 MAPT (0.36) PPARGMAPTTP53NPC1SMN1; SMN2
SCHEMBL6994309 0.79 MAPT (0.41) PPARGMAPTTP53SMN1; SMN2MEN1
SCHEMBL6993450 0.76 FFAR2 (0.38) NPC1RAB9A
SCHEMBL27597552 0.76 UTRN (0.37) MAPTTP53SMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
EP-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed