SCHEMBL28285608

SCHEMBL28285608

Nc1cccc2c1C(=O)C(O)(O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.67
CA2 P00918 11/20 0.67
CA7 P43166 11/20 0.67
CA9 Q16790 11/20 0.67
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
RECQL P46063 1/20 0.56
BACE1 P56817 1/20 0.56
EHMT2 Q96KQ7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADORA2A P29274 3/20 0.47
PTPRC P08575 1/20 0.47
PDK2 Q15119 1/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1G1 Q9HCP0 2/20 0.42
FGR P09769 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
SCHEMBL6199820 0.80 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL15642543 0.78 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL8665649 0.76 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL27641878 0.76 CA1 (0.63) CA1CA2CA7CA9ALDH1A1
SCHEMBL24756654 0.75 CA1 (0.61) CA1CA2CA7CA9ALDH1A1
SCHEMBL28478368 0.74 CA1 (0.61) CA1CA2CA7CA9ALDH1A1
SCHEMBL30260486 0.74 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL8665512 0.74 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL29350272 0.73 CA1 (1.00) CA1CA2CA7CA9ALDH1A1
SCHEMBL3658029 0.73 CA1 (1.00) CA1CA2CA7CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114720461-B Method for judging malt quality by using wort quality 厦门大学 2024-06-28 CN disclosed
CN-117229864-A Method for optimizing wort quality 厦门大学 2023-12-15 CN disclosed
CN-109627288-A Abalone peptide PIR and its synthetic method and application 鲍隆 2019-04-16 CN disclosed