SCHEMBL5039869

SCHEMBL5039869

CCCCCCCCCCCc1noc(-c2cccc(C(Cc3cccc(C(F)(F)F)c3)[N][O])c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADORA2B P29275 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5044735 0.92 PPARG (0.44) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5039859 0.92 PPARG (0.41) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5046490 0.84 ALDH1A1 (0.39) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5044443 0.84 ALDH1A1 (0.39) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL1854299 0.80 SPHK1 (0.43) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5039871 0.78 SPHK1 (0.42) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5045783 0.77 PPARG (0.44) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL6715222 0.77 SPHK2 (0.41) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5043684 0.76 PPARG (0.45) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL1852747 0.76 PPARG (0.45) PPARGPPARAPPARDALDH1A1MAPT

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed