SCHEMBL4537762

SCHEMBL4537762

CC[C@@H](NC(=O)c1ccc(NCc2ccccc2)c(N)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.48
HDAC8 Q9BY41 4/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PLEC Q15149 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45
KCNA5 P22460 2/20 0.44

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
SCHEMBL8034344 0.93 PPARG (0.54) PPARGMAPTHDAC1KCNA5
SCHEMBL8032490 0.93 PPARG (0.55) PPARGMAPK1HDAC1GAA
SCHEMBL4537211 0.92 KCNK3 (0.50) PPARGHDAC8MAPTHDAC1HDAC6
SCHEMBL8038740 0.90 PPARG (0.57) PPARGMAPK1GAA
SCHEMBL4540765 0.89 MEN1 (0.52) PPARGHDAC8MAPTHDAC1HDAC6
SCHEMBL8034539 0.89 PPARG (0.56) PPARGHDAC8HDAC1HDAC6
SCHEMBL8034326 0.87 PPARG (0.48) PPARGHDAC8
SCHEMBL8040416 0.86 PPARG (0.58) PPARGKCNA5
SCHEMBL4538730 0.86 PPARG (0.57) PPARGMAPTHDAC1KDM4EALDH1A1
SCHEMBL4537201 0.85 PPARG (0.57) PPARGMAPTMAPK1HDAC1KDM4E

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed