SCHEMBL28513337

SCHEMBL28513337

CC(C)(O)C(C)(C)O.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CA2 P00918 6/20 0.47
CA1 P00915 5/20 0.47
MGLL Q99685 2/20 0.47
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 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
Boric Acid SCHEMBL27969644 0.88 ALDH1A1 (0.43) ENPP2CA4CA6CA5ACA7
SCHEMBL4234167 0.88 ENPP2 (0.62) ENPP2CA4CA6CA5ACA7
SCHEMBL23966 0.88 ENPP2 (0.62) ENPP2CA4CA6CA5ACA7
Phenylboronic Acid SCHEMBL607952 0.83 ENPP2 (0.70) ENPP2CA4CA6CA5ACA7
SCHEMBL2310161 0.82 CA2 (0.64) ENPP2CA4CA6CA5ACA7
SCHEMBL17731991 0.82 CA2 (0.71) ENPP2CA4CA6CA5ACA7
SCHEMBL18540460 0.82 CA2 (0.71) ENPP2CA4CA6CA5ACA7
SCHEMBL19733188 0.82 CA2 (0.71) ENPP2CA4CA6CA5ACA7
SCHEMBL19733178 0.82 CA2 (0.71) ENPP2CA4CA6CA5ACA7
Phenylboronic Acid SCHEMBL22660136 0.81 ENPP2 (0.74) ENPP2CA4CA6CA5ACA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785060-A Triphenylamine-based conjugated benzylidene ketone photoinitiator, preparation method thereof and photoinitiation system 华南理工大学 2023-03-14 CN claimed
CN-115901882-A Ratio type aggregation-induced ECL/EC sensing platform, preparation method thereof and application thereof in detecting circulating tumor DNA 南通大学 2023-04-04 CN disclosed
CN-115850234-A N-phenyl-1, 8-naphthalimide derivative and preparation method and application thereof 厦门大学 2023-03-28 CN disclosed
CN-115785060-A Triphenylamine-based conjugated benzylidene ketone photoinitiator, preparation method thereof and photoinitiation system 华南理工大学 2023-03-14 CN disclosed
CN-113429302-B Naphthofluorene derivative, luminescent material, luminescent element and consumer product 北京八亿时空液晶科技股份有限公司 2022-05-03 CN disclosed
CN-109912433-B Compound, organic electroluminescent material, organic electroluminescent device, and electronic device 石家庄诚志永华显示材料有限公司 2022-04-08 CN disclosed
CN-113429302-A Naphthofluorene derivative, luminescent material, luminescent element and consumer product 北京八亿时空液晶科技股份有限公司 2021-09-24 CN disclosed
CN-113402524-A Thermal activation delayed fluorescence micromolecule material, organic electroluminescent device and manufacturing method 中国科学院宁波材料技术与工程研究所 2021-09-17 CN disclosed
CN-113336660-A Thermally induced delayed fluorescence semiconductor and preparation method and application thereof 南京邮电大学 2021-09-03 CN disclosed
CN-108714222-B Preparation and application of novel multifunctional supermolecule vesicle 南京邮电大学 2021-02-12 CN disclosed