SCHEMBL4538730

SCHEMBL4538730

CC[C@@H](NC(=O)c1ccc(NCc2ccccc2F)c(N)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.57
HDAC1 Q13547 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
TACR3 P29371 1/20 0.45
SLC6A9 P48067 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL8038556 0.91 PPARG (0.61) PPARGHDAC1HDAC3HDAC2NCOR2
SCHEMBL8038553 0.89 PPARG (0.60) PPARGHDAC1HDAC3HDAC2NCOR2
SCHEMBL4537762 0.86 PPARG (0.48) PPARGHDAC1KDM4EALDH1A1GAA
SCHEMBL4540765 0.86 MEN1 (0.52) PPARGHDAC1HDAC3HDAC2NCOR2
SCHEMBL8028550 0.86 PPARG (0.58) PPARGTACR3KDM4EALDH1A1MAPT
SCHEMBL8034344 0.86 PPARG (0.54) PPARGHDAC1HDAC3HDAC2NCOR2
SCHEMBL8045581 0.85 PPARG (0.50) PPARGHDAC1HDAC3HDAC2NCOR2
SCHEMBL4536851 0.84 MAPT (0.54) PPARGALDH1A1MAPT
SCHEMBL8040416 0.84 PPARG (0.58) PPARG
SCHEMBL8042117 0.83 PPARG (0.59) PPARGHDAC1KDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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