SCHEMBL10337116

SCHEMBL10337116

CC(O)C(O)OP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
FABP3 P05413 1/20 0.38
LMNA P02545 3/20 0.36
ADRA1A P35348 2/20 0.36
AKT1 P31749 2/20 0.36
ESR1 P03372 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CDC25A P30304 1/20 0.36
AGTR1 P30556 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
BBOX1 O75936 2/20 0.33
HTR1A P08908 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33

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
Water SCHEMBL8910642 0.86 SMN1; SMN2 (0.45) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL12795706 0.84 SMN1; SMN2 (0.42) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL13491273 0.79 SMN1; SMN2 (0.50) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL25857265 0.79 SMN1; SMN2 (0.46) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL8994299 0.78 LMNA (0.47) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL13619257 0.78 FABP3 (0.40) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL2696626 0.78 FABP3 (0.40) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL18719364 0.77 SMN1; SMN2 (0.47) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL6130069 0.77 FABP3 (0.39) SMN1; SMN2FABP3LMNAADRA1AAKT1
SCHEMBL2694156 0.77 FABP3 (0.39) SMN1; SMN2FABP3LMNAADRA1AAKT1

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-0375082-A2 Cosmetic composition KANEBO LTD. (JP) 1990-06-27 EP disclosed