SCHEMBL5043840

SCHEMBL5043840

CCCCCCCCCCCc1noc(-c2cccc(CN(CC(=O)O)Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.41
PPARA Q07869 13/20 0.41
SPHK1 Q9NYA1 3/20 0.40
SPHK2 Q9NRA0 2/20 0.40
STAT3 P40763 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PPARD Q03181 1/20 0.36

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
SCHEMBL5039920 0.92 SPHK1 (0.43) PPARGPPARASPHK1SPHK2STAT3
SCHEMBL1856085 0.89 SPHK1 (0.42) PPARGPPARASPHK1SPHK2STAT3
SCHEMBL4669838 0.89 PPARG (0.43) PPARGPPARASPHK1SPHK2ALDH1A1
SCHEMBL5043684 0.86 PPARG (0.45) PPARGPPARASPHK1SPHK2ALDH1A1
SCHEMBL1854141 0.85 SPHK1 (0.40) PPARGPPARASPHK1SPHK2STAT3
SCHEMBL1854919 0.82 SPHK1 (0.42) PPARGPPARASPHK1SPHK2ALDH1A1
SCHEMBL5044449 0.82 ALDH1A1 (0.41) PPARGPPARASPHK1SPHK2ALDH1A1
SCHEMBL6823058 0.80 ALDH1A1 (0.40) PPARGPPARASPHK1SPHK2ALDH1A1
SCHEMBL1855174 0.80 SPHK1 (0.43) SPHK1SPHK2STAT3ALDH1A1CHRM2
SCHEMBL1854904 0.80 SPHK1 (0.43) SPHK1SPHK2STAT3ALDH1A1CHRM2

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