SCHEMBL8028550

SCHEMBL8028550

CC[C@@H](NC(=O)c1ccc(NCc2ccccc2OC)c(N)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.58
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
RCE1 Q9Y256 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
TACR3 P29371 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
SCHEMBL4538730 0.86 PPARG (0.57) PPARGALDH1A1MAPTKDM4ETACR3
SCHEMBL8040491 0.85 PPARG (0.55) PPARGALDH1A1MAPTMEN1KMT2A
SCHEMBL4537762 0.84 PPARG (0.48) PPARGALDH1A1LMNAMAPTKDM4E
SCHEMBL8038556 0.83 PPARG (0.61) PPARGTACR3
SCHEMBL4537211 0.83 KCNK3 (0.50) PPARGTAS1R3TAS1R1MAPT
SCHEMBL8034344 0.82 PPARG (0.54) PPARGMAPTMEN1KMT2ATACR3
SCHEMBL8045581 0.82 PPARG (0.50) PPARGTAS1R3TAS1R1TACR3
SCHEMBL8042117 0.82 PPARG (0.59) PPARGTAS1R3TAS1R1KDM4E
SCHEMBL8034326 0.81 PPARG (0.48) PPARGTAS1R3TAS1R1
SCHEMBL8038553 0.80 PPARG (0.60) PPARGTAS1R3TAS1R1KDM4E

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