SCHEMBL6069668

SCHEMBL6069668

CC1(c2cc(OCc3ccccc3)ccc2B(O)O)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
MAOB P27338 8/20 0.46
MAOA P21397 3/20 0.46
LIPE Q05469 1/20 0.43
PDK2 Q15119 1/20 0.43
ALOX5 P09917 1/20 0.42
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HIF1A Q16665 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL5819884 0.82 MAOB (0.48) HRH3MAOBMAOAPDK2ALOX5
SCHEMBL6069671 0.79 MAOB (0.45) HRH3MAOBMAOAPDK2ALOX5
SCHEMBL539890 0.74 LIPE (0.54) HRH3MAOBMAOALIPEALOX5
SCHEMBL29953350 0.74 LIPE (0.68) HRH3MAOBMAOALIPEALOX5
SCHEMBL5433420 0.74 LIPE (0.68) HRH3MAOBMAOALIPEALOX5
SCHEMBL29950569 0.74 LIPE (0.54) HRH3MAOBMAOALIPEALOX5
SCHEMBL29825561 0.73 LIPE (0.53) HRH3MAOBLIPEALOX5HIF1A
SCHEMBL29954101 0.73 LIPE (0.53) HRH3MAOBLIPEALOX5HIF1A
SCHEMBL1711426 0.73 LIPE (0.53) HRH3MAOBLIPEALOX5HIF1A
SCHEMBL18550296 0.73 LIPE (0.53) HRH3MAOBLIPEALOX5HIF1A

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-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed