SCHEMBL9318344

SCHEMBL9318344

CC(C)(C)OC(=O)c1ccccc1-c1oc(Cl)c2cc(CBr)ccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ACHE P22303 1/20 0.34
AR P10275 2/20 0.34
AKT1 P31749 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
STAT3 P40763 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL7303338 0.88 AR (0.34) CYP4F2CYP4A11ACHEARAKT1
SCHEMBL9320112 0.88 SLC6A3 (0.43) CYP4F2CYP4A11HTTKMT2ASLC6A4
SCHEMBL9318339 0.85 ALOX5 (0.38) CYP4F2CYP4A11ACHEARAKT1
SCHEMBL9318361 0.84 AR (0.38) ARHTTKMT2ASLC6A4SLC6A3
SCHEMBL7303326 0.83 ALOX5 (0.38) ALOX5
SCHEMBL27536359 0.80 SLC6A3 (0.41) HTTKMT2ASLC6A4SLC6A3
SCHEMBL8548499 0.76 MEN1 (0.36) HTTKMT2A
SCHEMBL8544448 0.76 KMT2A (0.46) CYP4F2CYP4A11HTTKMT2ASLC6A4
SCHEMBL283 0.74 SLC6A3 (0.48) ACHEKMT2ASLC6A4SLC6A3
SCHEMBL9313945 0.74 CYP4F2 (0.48) CYP4F2CYP4A11KMT2AALOX5

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