SCHEMBL5035379

SCHEMBL5035379

O=C(O)OCCNCCNCCNCCOC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL9817079 0.87 SMN1; SMN2 (0.41) HTTSMN1; SMN2
SCHEMBL1135115 0.85 CA12 (0.46)
SCHEMBL8018068 0.82
SCHEMBL19384422 0.77
SCHEMBL600165 0.76
SCHEMBL5097428 0.76 ALDH1A1 (0.48) HTTSMN1; SMN2HTR1A
SCHEMBL20649 0.75 ALDH1A1 (0.35)
Acetic Acid SCHEMBL8586630 0.74 ALDH1A1 (0.46) SMN1; SMN2HTR1A
Hydrochloric Acid SCHEMBL5950972 0.74
SCHEMBL23045236 0.72 LMNA (0.46) SCN1ASCN2ASCN3ASMN1; SMN2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307237-B9 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2008-01-09 EP disclosed
EP-1307237-B1 COMPLEXES CONTAINING PERFLUOROALKYL WITH POLAR RADICALS, METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2007-04-11 EP disclosed