SCHEMBL759928

SCHEMBL759928

CC(C)(C)NC(=O)OCCCBr

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
ACHE P22303 14/20 0.36
FAAH O00519 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL760648 0.94 EPHX1 (0.40) EPHX1ACHEFAAHCA12CA1
SCHEMBL21596988 0.92 EPHX1 (0.43) EPHX1ACHEFAAHCA12CA1
SCHEMBL25362201 0.92 EPHX1 (0.43) EPHX1ACHEFAAHCA12CA1
SCHEMBL759990 0.88 ACHE (0.32) EPHX1ACHE
SCHEMBL7769422 0.82 EPHX1 (0.33) EPHX1ACHEFAAH
SCHEMBL7769425 0.82 EPHX1 (0.33) EPHX1ACHEFAAHRAB9A
SCHEMBL17393935 0.82 ACHE (0.44) EPHX1ACHE
SCHEMBL11100479 0.82 EPHX1 (0.52) EPHX1ACHERAB9A
SCHEMBL25345009 0.81 ACHE (0.32) ACHE
SCHEMBL21059108 0.80 EPHX1 (0.60) EPHX1ACHEFAAH

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658941-A Near infrared fluorescent probe based on basic dye double-enzyme activation and preparation and application thereof 山西大学 2024-03-08 CN claimed
CN-107602417-A It is a kind of based on aggregation-induced emission mechanism can quick detection zinc ion fluorescence probe and preparation method and application 华南理工大学 2018-01-19 CN claimed
CN-118239928-A Fibroblast activation protein affinity compound and radioactive marker thereof 南京思锘新药研发有限公司 2024-06-25 CN disclosed
CN-117769443-A Fibroblast activation protein inhibitor and use thereof 3B制药有限公司 2024-03-26 CN disclosed
CN-117658941-A Near infrared fluorescent probe based on basic dye double-enzyme activation and preparation and application thereof 山西大学 2024-03-08 CN disclosed
CN-114907197-B Preparation method of biaziridine-based photocrosslinking probe intermediate and derivative 中国人民解放军海军军医大学 2024-01-02 CN disclosed
CN-116368131-A Novel Smad3 protein degradation agent and application thereof 和径医药科技(上海)有限公司 2023-06-30 CN disclosed
CN-116253724-A Novel Smad3 protein degradation agent and application thereof 和径医药科技(上海)有限公司 2023-06-13 CN disclosed
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 CN disclosed
CN-110167933-A Azole amides and amines as α V integrin inhibitors 百时美施贵宝公司 2019-08-23 CN disclosed
CN-108778273-A bicyclic aryl monocyclic β -lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2018-11-09 CN disclosed
CN-1993362-B Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL 2010-12-15 CN disclosed
CN-1764650-B 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP 2010-06-16 CN disclosed
CN-101525339-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB 2009-09-09 CN disclosed
CN-101243093-A New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed
CN-1993362-A Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL (JP) 2007-07-04 CN disclosed
CN-1968956-A Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-05-23 CN disclosed
CN-1764650-A 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-04-26 CN disclosed
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN disclosed