SCHEMBL7303338

SCHEMBL7303338

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
KMT2A Q03164 5/20 0.34
HTT P42858 2/20 0.34
ACHE P22303 1/20 0.33
AKT1 P31749 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
STAT3 P40763 1/20 0.32
SLC6A3 Q01959 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MEN1 O00255 3/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 2/20 0.30
NR1H2 P55055 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
SCHEMBL9318344 0.88 CYP4F2 (0.36) ARKMT2AHTTACHEAKT1
SCHEMBL8544448 0.88 KMT2A (0.46) KMT2AHTTCYP4F2CYP4A11SLC6A3
SCHEMBL7303326 0.86 ALOX5 (0.38) ALOX5
SCHEMBL9313945 0.86 CYP4F2 (0.48) KMT2ACYP4F2CYP4A11MEN1RAB9A
SCHEMBL7302856 0.85 AR (0.38) ARKMT2AHTTSLC6A3MEN1
SCHEMBL9710721 0.83 ALDH1A1 (0.47) KMT2AHTTCYP4F2CYP4A11ADRA1A
SCHEMBL7314778 0.83 TSHR (0.46) KMT2AHTTSLC6A3MEN1NPC1
SCHEMBL9318339 0.82 ALOX5 (0.38) ARKMT2AHTTACHEAKT1
SCHEMBL27350253 0.80 KMT2A (0.45) KMT2AHTTSLC6A3NPC1RAB9A
SCHEMBL9468567 0.77 PTGDR2 (0.37) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
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
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US disclosed
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 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
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
EP-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed