SCHEMBL27647870

SCHEMBL27647870

CC(C(=O)C(C)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1O)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ PTGES O14684 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ MAX P61244 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
SCHEMBL28147393 0.85 BACE1 (0.44) MAPTBACE1MEN1KMT2APKM
SCHEMBL27664376 0.81 MEN1 (0.47) MEN1KMT2AL3MBTL1MAOB
SCHEMBL561090 0.80 MAOB (0.56) MAPTBACE1MEN1KMT2AL3MBTL1
SCHEMBL28171182 0.78 MEN1 (0.47) MAPTBACE1MEN1KMT2APKM
SCHEMBL27684770 0.77 BACE1 (0.52) MAPTBACE1MEN1KMT2AL3MBTL1
SCHEMBL27684080 0.76 MAOB (0.58) MEN1KMT2AL3MBTL1MAOBPTGES
SCHEMBL19327157 0.75 CTSV (0.46) MAPTBACE1MEN1KMT2ANPC1
SCHEMBL1663438 0.74 MEN1 (0.57) MAPTBACE1MEN1KMT2APKM
SCHEMBL30832846 0.74 MEN1 (0.57) MAPTBACE1MEN1KMT2APKM
SCHEMBL5024079 0.74 BACE1 (0.46) MAPTBACE1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003025-A The preparation method of 1- [2- hydroxyl -3- amino -5- (benzyloxy) phenyl]-ethyl ketone 天津华津制药有限公司 2019-07-12 — — CN claimed
CN-106995414-A The beta-agonists its preparation method and its purposes in medicament forms of new enantiomeric pure 贝林格尔英格海姆法玛两合公司 2017-08-01 — — CN disclosed
CN-102827097-B The beta-2-agonists its preparation method of enantiomeric pure and the purposes in medicament forms thereof 贝林格尔英格海姆法玛两合公司 2016-11-23 — — CN disclosed
CN-106146425-A The beta-agonists its preparation method of new enantiomeric pure and the purposes in medicament forms thereof 贝林格尔英格海姆法玛两合公司 2016-11-23 — — CN disclosed
CN-102827097-A Novel enantiomerically pure beta-agonists, method for the production and the use thereof in the form of a drug BOEHRINGER INGELHEIM INT 2012-12-19 — — CN disclosed
CN-101133039-A Novel enantiomerically pure beta agonists, method for the production thereof and use thereof in the form of medicaments BOEHRINGER INGELHEIM INT (DE) 2008-02-27 — — CN disclosed
CN-101039937-A Heteroaryl compounds for use as betamimetics in the treatment of respiratory diseases BOEHRINGER INGELHEIM INT (DE) 2007-09-19 — — CN disclosed
CN-1984638-A Inhalable powder formulations comprising enantiomerically pure beta-agonists BOEHRINGER INGELHEIM INT (DE) 2007-06-20 — — CN disclosed
CN-1906180-A New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-01-31 — — CN disclosed
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