SCHEMBL898467

SCHEMBL898467

COc1ccc(C(C)=O)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HPGD P15428 5/20 0.67
CYP3A4 P08684 2/20 0.67
MAPK1 P28482 2/20 0.67
RAB9A P51151 3/20 0.53
NPC1 O15118 3/20 0.53
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 1/20 0.48
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
LMNA P02545 2/20 0.46
PGR P06401 2/20 0.46

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
SCHEMBL30601548 1.00 ALDH1A1 (0.67) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL13733233 0.87 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL1652968 0.86 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL8103552 0.86 HPGD (0.51) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL9726513 0.86 RAB9A (0.66) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL1180221 0.84 LCK (0.58) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL13094612 0.83 ALDH1A1 (0.71) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL3343162 0.82 PARP1 (0.52) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL22717132 0.82 RAB9A (0.52) ALDH1A1HPGDCYP3A4MAPK1RAB9A
SCHEMBL2305885 0.82 KDM4E (0.57) ALDH1A1HPGDCYP3A4MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324975-A Phenothiazine skeleton macromolecule cationic photoinitiator and preparation method and application thereof 江南大学 2024-07-12 CN claimed
CN-115557865-B Thioether-promoted cysteine-based bioconjugate method 南京工业大学 2024-05-14 CN claimed
CN-115557865-A Thioether-promoted cysteine-based bioconjugation method 南京工业大学 2023-01-03 CN claimed
CN-113683594-B Quinoline-benzimidazole salt compound and synthesis method and application thereof 曲靖师范学院 2022-12-27 CN claimed
CN-113683594-A Quinoline-benzimidazole salt compound and synthesis method and application thereof 曲靖师范学院 2021-11-23 CN claimed
CN-113234066-A Propiconazole-like compound and preparation method and application thereof 浙江工业大学 2021-08-10 CN claimed
CN-108676016-B Synthetic method of myrtenal aldehyde imidazo [2,1-b ] [1,3,4] thiadiazole compound 广西大学 2021-02-26 CN claimed
CN-108794519-B A kind of oxygen bridge containing boric acid deriveding group is bicyclic-[2.2.1]-heptan vinyl compound, its synthetic method and application 武汉大学 2019-11-08 CN claimed
CN-110305048-A One kind preparing α-sulfuryl ketone compounds synthetic method by α, α-two bromo ketone one kettle way 温州大学 2019-10-08 CN claimed
CN-109020792-A A method of synthesis β-O-4 lignin dimer model compound 中国科学院青岛生物能源与过程研究所 2018-12-18 CN claimed
CN-101107216-A Process for the preparation of fenoldopam mesylate SICOR INC (US) 2008-01-16 CN claimed
JP-2004505888-A 2004-02-26 JP claimed
EP-1263763-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2002-12-11 EP claimed
WO-2001068654-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2001-09-20 WO claimed
EP-3810143-B1 NADPH OXIDASE INHIBITORS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND APPLICATION THEREOF TAIWANJ PHARMACEUTICALS CO LTD (TW) 2025-04-16 EP disclosed
EP-4233864-B1 COMPOSITION COMPRISING AN INDOLIZINE DERIVATIVE AND A CYCLIC DINUCLEOTIDE AS ACTIVE AGENTS UNIV AJOU IND ACADEMIC COOP FOUND (KR) 2025-02-12 EP disclosed
EP-3795563-B1 INDOLINE ANALOGS AND USES THEREOF ONCTERNAL THERAPEUTICS INC (US) 2024-07-17 EP disclosed
US-4489074-A CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1984-12-18 US disclosed
EP-0062503-A1 Benzothiophene compounds and process for preparing them ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed