SCHEMBL2653923

SCHEMBL2653923

CCCCCOB(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.56
LTA4H P09960 2/20 0.44
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
NR1I2 O75469 2/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MLNR O43193 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL4449195 0.98 PCSK9 (0.55) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL15351802 0.98 PCSK9 (0.55) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL16446602 0.98 PCSK9 (0.55) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL1128562 0.94 PCSK9 (0.58) PCSK9LTA4HMAPK1CYP3A4TSHR
Phosphine SCHEMBL28357175 0.93 PCSK9 (0.56) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL1275435 0.86 PCSK9 (0.47) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL1491911 0.81 PCSK9 (0.41) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL9226569 0.81 PCSK9 (0.47) PCSK9LTA4HMAPK1CYP3A4TSHR
SCHEMBL1092105 0.81 PCSK9 (0.40) PCSK9MAPK1CYP3A4TSHRALDH1A1
SCHEMBL28228486 0.80 CA1 (0.52) PCSK9LTA4HNR1I2LIPGLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865773-A Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling 大连理工大学 2024-04-12 CN claimed
CN-117417287-A Carbazole organic compound, and preparation method and application thereof 天合光能股份有限公司 2024-01-19 CN claimed
CN-112756012-B Hydrophilic organic porous polymer supported palladium catalyst, and preparation method and application thereof 六盘水师范学院 2023-03-10 CN claimed
CN-110483223-B Method for preparing diaryl ketone compound by high-efficiency catalysis of palladium pyridine 陕西师范大学 2022-06-07 CN claimed
CN-112756012-A Hydrophilic organic porous polymer supported palladium catalyst and preparation method and application thereof 六盘水师范学院 2021-05-07 CN claimed
CN-109053499-B Diaryl iodonium salt compound and preparation method and application thereof 上海邦高化学有限公司 2020-12-25 CN claimed
CN-119569754-A Thiophene pyrrole fused benzothiadiazole dichroic dye and application thereof 西安工业大学 2025-03-07 CN disclosed
CN-118388973-A Benzotriazole dichroic dye and application thereof 西安近代化学研究所 2024-07-26 CN disclosed
CN-117865773-A Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling 大连理工大学 2024-04-12 CN disclosed
CN-115368415-B ClO-/H in detection line granule 2 O 2 Multicolor fluorescent probe of (2), preparation method and application thereof 徐州医科大学 2024-03-12 CN disclosed
WO-2024027138-A1 PREPARATION METHOD FOR 2-PHENYL INDOLE DERIVATIVE AND USE OF SAME 石河子大学 2024-02-08 WO disclosed
CN-115181050-B Preparation method and application of 2-phenylindole derivative 石河子大学 2024-01-30 CN disclosed
CN-115181050-B Preparation method and application of 2-phenylindole derivative 石河子大学 2024-01-30 CN disclosed
CN-110903317-A Method for preparing polysubstituted gem-diaryl methyl phosphate compound 西南大学 2020-03-24 CN disclosed
CN-108517217-B Acetylene liquid crystal compound, preparation method thereof, composition containing acetylene liquid crystal compound and high-frequency component containing acetylene liquid crystal medium 西安近代化学研究所 2020-02-14 CN disclosed
CN-110760311-A Lateral methyl poly-biphenyl liquid crystal compound, liquid crystal composition and application thereof 武汉轻工大学 2020-02-07 CN disclosed
CN-110746981-A Liquid crystal composition and application thereof 武汉轻工大学 2020-02-04 CN disclosed
CN-108640941-A Phenyl boron fluorine complex and preparation method and application thereof 河北科技大学 2018-10-12 CN disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed