SCHEMBL28433377

SCHEMBL28433377

O=C(c1ccccc1)C1(O)CC(O)(C(=O)c2ccccc2)CC(O)(C(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CES1 P23141 5/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MAPK1 P28482 3/20 0.43
TRPA1 O75762 1/20 0.43
GSK3B P49841 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 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
SCHEMBL11341980 0.86 CES1 (0.46) LMNACES1CES2ALDH1A1TSHR
SCHEMBL6698945 0.86 CES1 (0.46) LMNACES1CES2ALDH1A1TSHR
SCHEMBL6692163 0.82 AKR1C1 (0.45) LMNACES1CES2ALDH1A1TSHR
SCHEMBL9224136 0.82 FASN (0.45) LMNACES1CES2ALDH1A1TSHR
Benzene SCHEMBL29067363 0.80 HDAC4 (0.46) LMNACES1CES2ALDH1A1TSHR
SCHEMBL6695613 0.80 HDAC4 (0.46) LMNACES1CES2ALDH1A1TSHR
SCHEMBL28231289 0.80 HDAC4 (0.46) LMNACES1CES2ALDH1A1TSHR
SCHEMBL27279 0.80 HDAC4 (0.46) LMNACES1CES2ALDH1A1TSHR
Water SCHEMBL29044078 0.79 HDAC4 (0.44) LMNACES1CES2ALDH1A1TSHR
SCHEMBL30936941 0.77 LMNA (0.56) LMNACES1CES2ALDH1A1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115475538-A Hollow fiber composite nanofiltration membrane based on COFs intermediate layer and preparation method thereof 中国海洋大学 2022-12-16 CN claimed
CN-109261128-B Boric acid type magnetic COFs material, preparation method and application thereof 西北大学 2021-11-02 CN claimed
CN-111333852-A Covalent organic framework material based on quinone group, preparation method and application thereof 吉林大学 2020-06-26 CN claimed
CN-113929921-B Covalent organic framework material with sulfydryl functionalized beta-keto enamine structure and preparation method and application thereof 青岛理工大学 2022-12-20 CN disclosed
CN-113976049-B COF/CS aerogel and preparation method and application thereof 中国地质大学(武汉) 2022-11-04 CN disclosed
CN-114894941-A Integrated extraction device for separating and ionizing zearalenone toxins and application 中国检验检疫科学研究院 2022-08-12 CN disclosed
CN-114636751-A Integrated mass spectrum ionization device for separating and ionizing zearalenone toxins and application 中国检验检疫科学研究院 2022-06-17 CN disclosed
CN-113929921-A Covalent organic framework material with sulfydryl functionalized beta-keto enamine structure and preparation method and application thereof 青岛理工大学 2022-01-14 CN disclosed
CN-109261128-B Boric acid type magnetic COFs material, preparation method and application thereof 西北大学 2021-11-02 CN disclosed
CN-110227357-B Flexible tailorable nanocellulose/covalent organic framework composite membrane and preparation method thereof 华南理工大学 2021-09-21 CN disclosed
CN-111333852-A Covalent organic framework material based on quinone group, preparation method and application thereof 吉林大学 2020-06-26 CN disclosed