SCHEMBL5048811

SCHEMBL5048811

CCCCCCCCCCCc1noc(-c2cccc(C[N]Cc3ccccc3C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.42
SPHK2 Q9NRA0 7/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 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
S1PR1 P21453 5/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
S1PR3 Q99500 2/20 0.35
HSD11B1 P28845 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL1858451 0.86 SPHK1 (0.41) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL5046496 0.85 SPHK1 (0.41) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL6806996 0.83 SPHK1 (0.42) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL6719952 0.83 SPHK1 (0.39) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1852681 0.80 SPHK1 (0.42) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL5046490 0.79 ALDH1A1 (0.39) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1849899 0.78 SPHK1 (0.40) SPHK1SPHK2ALDH1A1S1PR1CHRM2
SCHEMBL1855933 0.77 SPHK1 (0.36) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1856354 0.77 SPHK1 (0.47) SPHK1SPHK2ALDH1A1KDM4ENPC1
SCHEMBL1857367 0.77 SPHK1 (0.47) SPHK1SPHK2ALDH1A1KDM4ENPC1

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