SCHEMBL5035377

SCHEMBL5035377

O=C(O)CCNCCNCCNCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
EGLN1 Q9GZT9 3/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
SUCNR1 Q9BXA5 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.44
ECE1 P42892 1/20 0.44
TSHR P16473 3/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
LDHA P00338 1/20 0.41
SRR Q9GZT4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM5C P41229 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
KDM6B O15054 1/20 0.41
FOLH1 Q04609 1/20 0.41
FFAR3 O14843 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL20415450 1.00 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL12491912 1.00 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL17433002 1.00 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL162041 1.00 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hydrochloric Acid SCHEMBL8650017 0.97 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hydrochloric Acid SCHEMBL6306661 0.97 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hydrochloric Acid SCHEMBL496928 0.97 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL109879 0.97 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL28473579 0.93 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6
Hydrochloric Acid SCHEMBL4199437 0.93 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1SLC22A6

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