SCHEMBL8024501

SCHEMBL8024501

CC[C@@H](NC(=O)c1ccc(NCc2cccs2)c(NC(C)=O)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 6/20 0.43
TACR3 P29371 2/20 0.41
KCNA5 P22460 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A9 P48067 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PKM P14618 1/20 0.39
KCNK3 O14649 1/20 0.39

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
SCHEMBL8034302 0.86 POLB (0.45) POLBPPARGKCNA5HPGDKDM4E
SCHEMBL8028605 0.86 POLB (0.45) POLBPPARGKCNA5HPGDKDM4E
SCHEMBL8036319 0.83 MAPT (0.49) MEN1KMT2AHPGDPKM
SCHEMBL8032170 0.82 SLC6A9 (0.53) PPARGKCNA5MEN1KMT2ASLC6A9
SCHEMBL4537762 0.71 PPARG (0.48) PPARGKCNA5HPGDKDM4EALDH1A1
SCHEMBL8022765 0.70 KCNK3 (0.50) PPARGKCNK3
SCHEMBL8036185 0.70 PPARG (0.54) PPARGTAS1R3TAS1R1
SCHEMBL8032490 0.69 PPARG (0.55) PPARG
SCHEMBL8038260 0.69 PPARG (0.71) PPARG
SCHEMBL4660820 0.68 KDM4E (0.67) PPARGTACR3KCNA5MEN1KMT2A

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