SCHEMBL1853294

SCHEMBL1853294

CCCCCCCCCCCc1noc(-c2cccc(C[N+]([O-])(Cc3cccc(C(F)(F)F)c3)OC(=O)CCC)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
SPHK1 Q9NYA1 3/20 0.38
SPHK2 Q9NRA0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ADORA2B P29275 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1855495 0.94 PPARG (0.42) PPARGPPARAPPARDSPHK1ALDH1A1
SCHEMBL1855933 0.89 SPHK1 (0.36) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1857251 0.86 PPARG (0.43) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL6715222 0.84 SPHK2 (0.41) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1853813 0.80 SPHK1 (0.40) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1857249 0.79 PPARG (0.42) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL5039871 0.79 SPHK1 (0.42) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL1854299 0.78 SPHK1 (0.43) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL6823315 0.78 ALDH1A1 (0.39) PPARGPPARAPPARDSPHK1SPHK2
SCHEMBL5043684 0.78 PPARG (0.45) 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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed