SCHEMBL28449335

SCHEMBL28449335

CC(C)(O)C(C)(C)O.Nc1ccc(OB(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 6/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.39
TEAD4 Q15561 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAOA P21397 2/20 0.34
NR4A1 P22736 1/20 0.34
APP P05067 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL10339466 0.87 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1NPC1RAB9A
Hydrochloric Acid SCHEMBL29096641 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL28461755 0.82 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL29141449 0.82 CA1 (0.48) MAPTMAPK1RAB9ATDP1MEN1
SCHEMBL28667653 0.82 ESR2 (0.41) HPGDCYP3A4TSHRAPPMEN1
SCHEMBL28463108 0.82 CA1 (0.38) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL29222009 0.80 ORAI1 (0.37) ALDH1A1MAOAMAOB
SCHEMBL29278208 0.79 ST14 (0.41) MAOB
SCHEMBL28069393 0.79 CA1 (0.38) ALDH1A1MAPK1NPC1RAB9ATSHR
SCHEMBL29175281 0.78 ALDH1A1 (0.48) ALDH1A1MAPTTDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114544723-B Au@BP5 composite material and preparation method and application thereof 南通大学 2024-06-21 CN claimed
CN-116144218-B Infrared invisible ink for confidentiality and anti-counterfeiting and preparation method thereof 北京高德品创科技有限公司 2023-07-14 CN claimed
CN-118108676-A Benzenesulfonamide compound, pharmaceutical composition and application thereof 中国药科大学 2024-05-31 CN disclosed
CN-117777042-A Triazine hydroxamic acid derivative and preparation method and application thereof 长沙医学院 2024-03-29 CN disclosed
CN-114751899-B Diaryl urea mTOR kinase inhibitor, and pharmaceutical composition and application thereof 贵州医科大学 2024-03-29 CN disclosed
CN-117659068-A Double-hole covalent organic framework material based on double connection bond constructed by trifunctional monomer and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-03-08 CN disclosed
CN-107915698-B Novel organic compound and organic light-emitting element comprising same SFC株式会社 2024-02-02 CN disclosed
CN-116745607-A Thin film, biosensor, and method for producing the same 国立大学法人东京大学 2023-09-12 CN disclosed
CN-116585319-A Application of aryl oxygen cyclohexyl compound in preparation of anti-prostate cancer drugs 烟台大学 2023-08-15 CN disclosed
CN-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 CN disclosed
CN-110872268-B Isocoumarin derivative and preparation method and medicinal application thereof 复旦大学 2023-07-25 CN disclosed
CN-114195729-B Benzotriazine single free radical compound and preparation method thereof 郑州大学 2023-06-30 CN disclosed
CN-116144218-A Infrared invisible ink for confidentiality and anti-counterfeiting and preparation method thereof 北京高德品创科技有限公司 2023-05-23 CN disclosed
CN-116102545-A Diaryl urea PI3K/mTOR/HDAC multi-target inhibitor, and pharmaceutical composition and application thereof 贵州医科大学 2023-05-12 CN disclosed
CN-115974771-A Light extraction material with ultraviolet light stability and application thereof 烟台显华光电材料研究院有限公司 2023-04-18 CN disclosed
CN-114656646-B Synthetic method of diarylene COFs material and application of diarylene COFs material in light-operated adsorption 江西科技师范大学 2023-02-17 CN disclosed
CN-114656646-A Synthetic method of diarylene COFs material and application of diarylene COFs material in light-operated adsorption 江西科技师范大学 2022-06-24 CN disclosed
CN-112952020-A Organic electroluminescent device and display device comprising same 烟台显华光电材料研究院有限公司 2021-06-11 CN disclosed
CN-110144046-B Boron-containing phenolic resin microspheres and preparation method of carbon microspheres 沙县宏盛塑料有限公司 2021-05-28 CN disclosed
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 CN disclosed