SCHEMBL5045899

SCHEMBL5045899

CCCCCCCCCCCc1noc(-c2ccc(CN(CC(=O)O)Cc3ccccc3C(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.43
PPARA Q07869 6/20 0.43
SPHK1 Q9NYA1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 1/20 0.38
ACHE P22303 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
SCHEMBL4671678 0.88 SPHK1 (0.45) PPARGPPARASPHK1KDM4ENPC1
SCHEMBL1853501 0.86 SPHK1 (0.42) PPARGPPARASPHK1KDM4ENPC1
SCHEMBL1851369 0.86 SPHK1 (0.42) PPARGPPARASPHK1KDM4ENPC1
SCHEMBL5039920 0.83 SPHK1 (0.43) PPARGPPARASPHK1KDM4ENPC1
SCHEMBL1851297 0.82 SPHK1 (0.42) PPARGPPARASPHK1KDM4ENPC1
SCHEMBL1854356 0.82 SPHK1 (0.42) PPARGPPARASPHK1KDM4ENPC1
SCHEMBL4669838 0.81 PPARG (0.43) PPARGPPARASPHK1ALDH1A1CHRM2
SCHEMBL27679423 0.81 PPARG (0.38) PPARGPPARASPHK1CHRM2CHRM4
SCHEMBL1856354 0.80 SPHK1 (0.47) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1857367 0.80 SPHK1 (0.47) SPHK1KDM4ENPC1ALDH1A1MAPT

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