SCHEMBL28979877

SCHEMBL28979877

NCCN=Cc1cc(O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.47
CA12 O43570 7/20 0.47
KDM4E B2RXH2 1/20 0.47
AMY1A P0DUB6 1/20 0.46
CA9 Q16790 6/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
EGFR P00533 3/20 0.42
LCK P06239 1/20 0.42
CA1 P00915 3/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL28768655 0.98 CA2 (0.46) CA2CA12KDM4EAMY1ACA9
SCHEMBL30241961 0.89 CA2 (0.59) CA2CA12KDM4EAMY1ACA9
SCHEMBL14666848 0.89 CA2 (0.59) CA2CA12KDM4EAMY1ACA9
SCHEMBL27558821 0.86 BACE1 (0.51) CA2CA12KDM4EAMY1ACA9
SCHEMBL5710822 0.84 CA2 (0.48) CA2CA12KDM4EAMY1ACA9
SCHEMBL5377841 0.84 CA2 (0.48) CA2CA12KDM4EAMY1ACA9
SCHEMBL28243912 0.83 MAPT (0.54) CA2CA12KDM4ECA9ALDH1A1
SCHEMBL28599891 0.80 CA2 (0.42) CA2CA12KDM4ECA9ALDH1A1
SCHEMBL28994297 0.79 MAPT (0.62) CA2CA12KDM4ECA9ALDH1A1
SCHEMBL3391973 0.78 CA12 (0.78) CA2CA12KDM4ECA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115920969-B Salen metal ligand immobilized catalyst, preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-12-29 CN claimed
CN-115920969-A Salen metal ligand immobilized catalyst, and preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-04-07 CN claimed
CN-115920969-B Salen metal ligand immobilized catalyst, preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-12-29 CN disclosed
CN-116640415-A Recyclable epoxy resin, system material, composite material and recycling method thereof 道生天合材料科技(上海)股份有限公司 2023-08-25 CN disclosed
CN-115920969-A Salen metal ligand immobilized catalyst, and preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-04-07 CN disclosed