SCHEMBL904219

SCHEMBL904219

O=[N+]([O-])C(CO)(CO)CC(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK1 Q13546 1/20 0.39
NPC1 O15118 2/20 0.37
ADAM17 P78536 1/20 0.37
AOC3 Q16853 4/20 0.37
ALDH1A1 P00352 1/20 0.37
BCAT2 O15382 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL10037548 0.84 NPC1 (0.39) LMNAKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL28802116 0.78 ALDH1A1 (0.34) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL901600 0.75 TNNC1 (0.47) LMNAKDM4EALDH1A1
Biphenyl SCHEMBL27676192 0.74 CRHBP (0.44) GSRLMNANPC1ALDH1A1RAB9A
Nitric Acid SCHEMBL9803283 0.73 GSR (0.53) GSRLMNAMEN1KMT2AHTR1A
SCHEMBL27794151 0.72 LMNA (0.39) GSRLMNAALDH1A1
Aniline SCHEMBL27543715 0.72 TSHR (0.42) GSRLMNAALDH1A1SMN1; SMN2
SCHEMBL9636037 0.71 GSR (0.44) GSRLMNAMEN1KMT2AKDM4E
SCHEMBL5521085 0.71 ALDH1A1 (0.67) GSRLMNAMEN1KMT2AKDM4E
SCHEMBL1348353 0.71 ALDH1A1 (0.67) GSRLMNAMEN1KMT2AKDM4E

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
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed