SCHEMBL9318977

SCHEMBL9318977

CC(C)(C)OC(=O)c1c(F)cccc1-c1cc2cc(CBr)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
MAOA P21397 4/20 0.46
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
FFAR1 O14842 7/20 0.39
S1PR1 P21453 2/20 0.37
KCNH2 Q12809 1/20 0.37
S1PR3 Q99500 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
BDKRB1 P46663 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL9318442 0.85 MAOB (0.46) MAOBMAOA
SCHEMBL9318981 0.79 BDKRB1 (0.34) BDKRB1ALOX5
SCHEMBL9320053 0.77
SCHEMBL8045831 0.76 LMNA (0.48)
SCHEMBL9308162 0.73 CA12 (0.50) MAOBMAOAFFAR1HDAC6
SCHEMBL8544088 0.73 MAOB (0.49) MAOBMAOABDKRB1
SCHEMBL27403737 0.71 BDKRB1 (0.33) BDKRB1
SCHEMBL9571388 0.69 MAOB (0.44) MAOBMAOACYP26A1CYP26B1FFAR1
SCHEMBL6839902 0.68 BDKRB1 (0.49) BDKRB1
SCHEMBL9318021 0.68 ALOX5 (0.44) BDKRB1ALOX5

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
US-5317023-A 2-Phenyl-(imidazo(4,5-b)pyridyl-methyl-) derivatives; hypertensive agents; cognition activators GLAXO GROUP LIMITED (GB) 1994-05-31 US disclosed
WO-1992020679-A1 BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed