SCHEMBL8040416

SCHEMBL8040416

CC[C@@H](NC(=O)c1ccc(NCc2ccc(F)c(Cl)c2)c(N)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.58
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNA5 P22460 1/20 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
SCHEMBL4540765 0.92 MEN1 (0.52) PPARGMEN1PKMKMT2A
SCHEMBL8034539 0.92 PPARG (0.56) PPARGTAS1R3TAS1R1
SCHEMBL8034344 0.88 PPARG (0.54) PPARGMEN1KMT2AKCNA5
SCHEMBL4537762 0.86 PPARG (0.48) PPARGKCNA5
SCHEMBL8036315 0.86 MEN1 (0.57) PPARGMEN1PKMKMT2A
SCHEMBL8038553 0.85 PPARG (0.60) PPARGTAS1R3TAS1R1KCNA5
SCHEMBL8034326 0.84 PPARG (0.48) PPARGTAS1R3TAS1R1
SCHEMBL4538730 0.84 PPARG (0.57) PPARG
SCHEMBL8045581 0.83 PPARG (0.50) PPARGTAS1R3TAS1R1KCNA5
SCHEMBL8042117 0.83 PPARG (0.59) PPARGTAS1R3TAS1R1KCNA5

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