SCHEMBL4678917

SCHEMBL4678917

CCCCOC(=O)[C](C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TSHR P16473 5/20 0.57
ATM Q13315 1/20 0.54
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 1/20 0.47
NAAA Q02083 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4679312 0.93 TSHR (0.67) ALDH1A1TSHRATMHCAR2NAAA
SCHEMBL4678896 0.91 TSHR (0.70) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL137155 0.87 ALDH1A1 (0.67) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL28787473 0.87 ALDH1A1 (0.67) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL5501929 0.87 ALDH1A1 (0.67) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL5159295 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL8709672 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
Acetic Acid SCHEMBL28461572 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL139434 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL7536526 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP claimed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO claimed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
CN-102307621-B Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-01 CN disclosed
EP-2697214-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS Bayer Intellectual Property GmbH (DE) 2014-02-19 EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 WO disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 CN disclosed
CN-1051038-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1991-05-01 CN disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
US-4806551-A PLATELET AGGREGATION-INHIBITOR AND THROMBOXAN A2-ANTAGONIST BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
US-4771062-A ENZYME INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
US-4751295-A 7-(2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-OXYIMINOACETAMIDO)-3-(3 -(QUATERNARY AMMONIO)-1-PROPEN-1-YL)-3-CEPHEM-4-CARBOXYLATES BRISTOL-MYERS COMPANY (US) 1988-06-14 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed
EP-0240680-A1 Diaryl sulfide derivatives BAYER AG (DE) 1987-10-14 EP disclosed