SCHEMBL5043684

SCHEMBL5043684

CCCCCCCCCCCc1noc(-c2cccc(CN(CC(=O)O)Cc3cccc(C(F)(F)F)c3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
PPARD Q03181 1/20 0.45
SPHK1 Q9NYA1 3/20 0.43
SPHK2 Q9NRA0 2/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC6 Q9UBN7 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4669838 0.94 PPARG (0.43) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1852747 0.88 PPARG (0.45) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL5043840 0.86 PPARG (0.41) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL4671678 0.85 SPHK1 (0.45) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL4325280 0.84 SPHK1 (0.46) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1853296 0.83 PPARG (0.43) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1852532 0.82 PPARG (0.43) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1853829 0.82 SPHK1 (0.44) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1852027 0.82 PPARG (0.43) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1854299 0.82 SPHK1 (0.43) PPARGPPARAPPARDSPHK1SPHK2

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 disclosed