SCHEMBL377844

SCHEMBL377844

CCCC(=O)ONC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 2/20 0.41
CTSK P43235 6/20 0.39
CA2 P00918 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA9 Q16790 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 2/20 0.36
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1638343 0.89 CTSK (0.43) CA12CA1CA14CA7CTSK
SCHEMBL4653239 0.87 DGKA (0.43) CA12CA1CA14CA7CTSK
SCHEMBL20503257 0.86 DGKA (0.46) ALDH1A1CTSKTDP1
SCHEMBL8002118 0.86 DGKA (0.46) ALDH1A1CTSKTDP1
SCHEMBL31088250 0.86 DGKA (0.46) ALDH1A1CTSKTDP1
SCHEMBL25438156 0.86 DGKA (0.46) ALDH1A1CTSKTDP1
SCHEMBL30516551 0.86 DGKA (0.46) ALDH1A1CTSKTDP1
SCHEMBL18985138 0.85 TDP1 (0.44) CA12CA1CA14CA7CTSK
SCHEMBL1949382 0.84 CA12 (0.40) CA12CA1CA14CA7CTSK
SCHEMBL28363958 0.81 TSHR (0.54) ALDH1A1CA12CA1CA14CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367111-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-05-15 EP disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
CN-110770224-B Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2022-11-18 CN disclosed
CN-110143961-B Pyrrolo-pyridone bifunctional molecular compound based on VHL ligand-induced BET degradation 江苏省中医药研究院 2022-03-29 CN disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
CN-110770224-A Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2020-02-07 CN disclosed
CN-110337429-A Ionizable cation lipid for RNA delivery 阿克丘勒斯治疗公司 2019-10-15 CN disclosed
CN-107105661-A Big ring picolinamide compound with Fungicidally active 美国陶氏益农公司 2017-08-29 CN disclosed
CN-107105662-A Big ring picolinamide as fungicide purposes 美国陶氏益农公司 2017-08-29 CN disclosed
CN-106928252-A A kind of compound of suppression ROCK and preparation method and application 成都先导药物开发有限公司 2017-07-07 CN disclosed
CN-104768952-B PI3K inhibitors 山东亨利医药科技有限责任公司 2016-10-19 CN disclosed
CN-104334559-A Novel beta-lactamase inhibitor and process for preparing the same MEIJI SEIKA PHARMA CO LTD 2015-02-04 CN disclosed
EP-2408759-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS Valorisation-Recherche, Société en Commandite (CA) 2012-01-25 EP disclosed
WO-2010105367-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS VALORISATION-RECHERCHE SOCIETE EN COMMANDITE (CA) 2010-09-23 WO disclosed
CN-101821263-A Dipeptoid prodrugs and the use thereof BAYER HEALTHCARE AG 2010-09-01 CN disclosed
CN-101675059-A Macrocyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2010-03-17 CN disclosed
CN-1033584-C Benzo-fused lactams that promote release of growth hormone MERCK & CO INC (US) 1996-12-18 CN disclosed