SCHEMBL5696776

SCHEMBL5696776

CC(CCCCC(C)OC(=O)N(C)c1ccccc1)OC(=O)N(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA4 P43681 2/20 0.56
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL8614663 0.85 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL3507290 0.81 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL27692422 0.78 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL27701669 0.78 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2090409 0.78 LMNA (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5803244 0.77 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
Valeric Acid SCHEMBL28335645 0.75 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL28055932 0.75 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10046501 0.74 MTNR1A (0.45) ALDH1A1SMN1; SMN2LMNA
SCHEMBL515011 0.73 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed