SCHEMBL5747211

SCHEMBL5747211

CCCCOC(=O)NN1CCCC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 2/20 0.38
EPHX1 P07099 1/20 0.37
ACHE P22303 7/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
ACE P12821 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6582896 0.86 MAPT (0.47) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL7841197 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL1383077 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3010245 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL6313168 0.78 EPHX1 (0.37) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3390391 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3390388 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL27482707 0.76 KMT2A (0.43) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL8589909 0.76 EPHX1 (0.56) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL6167492 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed