SCHEMBL8032170

SCHEMBL8032170

CC[C@@H](NC(=O)c1ccc(NCc2ccc(F)cc2)c(NC(C)=O)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
PPARG P37231 10/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SSTR3 P32745 1/20 0.44
KCNA5 P22460 1/20 0.44
BLM P54132 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL8034344 0.86 PPARG (0.54) SLC6A9PPARGMEN1KMT2AMAPT
SCHEMBL8034144 0.83 MAPT (0.66) SLC6A9PPARGMEN1KMT2AMAPT
SCHEMBL8024501 0.82 POLB (0.46) SLC6A9PPARGMEN1KMT2AKCNA5
SCHEMBL4537762 0.78 PPARG (0.48) PPARGMAPTKCNA5HDAC8HDAC1
SCHEMBL8036185 0.78 PPARG (0.54) PPARGSSTR3HDAC8HDAC1HDAC6
SCHEMBL4540765 0.77 MEN1 (0.52) SLC6A9PPARGMEN1KMT2AMAPT
SCHEMBL4537211 0.75 KCNK3 (0.50) PPARGMAPTHDAC8HDAC1HDAC6
SCHEMBL4540776 0.75 MAPT (0.63) MEN1KMT2AMAPTRXFP1
SCHEMBL8040416 0.74 PPARG (0.58) PPARGMEN1KMT2AKCNA5
SCHEMBL8032490 0.74 PPARG (0.55) 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