SCHEMBL8040417

SCHEMBL8040417

CC[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccc2)c(N)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 7/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC2 Q92769 3/20 0.45
NCOR2 Q9Y618 3/20 0.45
KCNA5 P22460 2/20 0.45

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
SCHEMBL4537762 0.83 PPARG (0.48) PPARGALDH1A1KDM4ELMNAHPGD
SCHEMBL8037983 0.82 MAPT (0.61) ALDH1A1HPGDKMT2A
SCHEMBL8034326 0.79 PPARG (0.48) PPARG
SCHEMBL22004952 0.79 PTGER4 (0.55) ALDH1A1KDM4ELMNAHDAC1HDAC3
SCHEMBL4538730 0.78 PPARG (0.57) PPARGALDH1A1KDM4EHDAC1HDAC3
SCHEMBL8032490 0.78 PPARG (0.55) PPARGHDAC1HDAC3
SCHEMBL8034344 0.78 PPARG (0.54) PPARGHDAC1MEN1KMT2AHDAC3
SCHEMBL21925191 0.78 LNPEP (0.53) ALDH1A1KDM4EHPGDHSD17B10HDAC1
SCHEMBL8034302 0.78 POLB (0.45) PPARGALDH1A1KDM4ELMNAHPGD
SCHEMBL4537211 0.78 KCNK3 (0.50) PPARGHDAC1

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