SCHEMBL514895

SCHEMBL514895

Cc1ccc(C(C)OC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
LMNA P02545 3/20 0.43
ACHE P22303 1/20 0.42
GPR139 Q6DWJ6 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
STAT3 P40763 1/20 0.39
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL22772305 0.84 ESR1 (0.46) LMNAHCAR2CYP2C19TDP1
SCHEMBL514412 0.84 HCAR2 (0.40) ALOX5LMNAHCAR2ALDH1A1SCN2A
SCHEMBL28649908 0.82 ALDH1A1 (0.41) HCAR2ALDH1A1
SCHEMBL513778 0.82 ACACB (0.40) ALOX5LMNAHCAR2
SCHEMBL9090928 0.82 ALDH1A1 (0.41) HCAR2ALDH1A1
SCHEMBL5823639 0.82 ALOX5 (0.51) ALOX5HCAR2ALDH1A1KMT2A
SCHEMBL3789551 0.82 ADRB2 (0.47) LMNAHCAR2ALDH1A1CYP2C19KMT2A
SCHEMBL21612915 0.82 ALOX5 (0.51) ALOX5HCAR2ALDH1A1KMT2A
SCHEMBL29140774 0.82 ALOX5 (0.51) ALOX5HCAR2ALDH1A1KMT2A
SCHEMBL264866 0.82 HCAR2 (0.58) ALOX5LMNAHCAR2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174297-B Estrogen receptor modulating compounds 雷迪厄斯制药公司 2024-07-12 CN disclosed
CN-115722266-B Azacarbene-amino-ruthenium catalyst, and preparation method and application thereof 广东药科大学 2024-04-05 CN disclosed
CN-115722266-A Novel aza-carbene-amido-ruthenium catalyst and preparation method and application thereof 广东药科大学 2023-03-03 CN disclosed
CN-112159401-B Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-06-03 CN disclosed
CN-114174297-A Estrogen receptor modulating compounds 雷迪厄斯制药公司 2022-03-11 CN disclosed
CN-114040912-A Compounds for the treatment of kinase-dependent disorders 埃克塞里艾克西斯公司 2022-02-11 CN disclosed
CN-112159401-A Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-01-01 CN disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-5314875-A Method for treating swine dysentery with the derivatives of the antibiotic A82810 ELI LILLY AND COMPANY (US) 1994-05-24 US disclosed
EP-0341019-B1 POLYETHER ANTIBIOTIC ELI LILLY AND COMPANY (US) 1993-01-13 EP disclosed
EP-0184291-B1 POLYETHER ANTIBIOTIC A80190 ELI LILLY AND COMPANY (US) 1992-05-27 EP disclosed
US-5098834-A Polyether antibiotics as bactericides and anticoccidial agents ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
EP-0341019-A2 Polyether antibiotic ELI LILLY AND COMPANY (US) 1989-11-08 EP disclosed
US-4683201-A Antibiotic A80190-producing Actinomadura oligospora and process ELI LILLY AND COMPANY (US) 1987-07-28 US disclosed
EP-0184291-A2 Polyether antibiotic A80190 ELI LILLY AND COMPANY (US) 1986-06-11 EP disclosed
US-4582822-A ANIMAL FEED ADDITIVES ELI LILLY AND COMPANY (US) 1986-04-15 US disclosed
US-4294925-A FERMENTATION, AEROBIC PROCESSES HOFFMANN-LA ROCHE INC. (US) 1981-10-13 US disclosed
US-4263427-A REACTING HYDROXYL WITH ISOCYANATE TO OBTAIN ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-21 US disclosed