SCHEMBL28427488

SCHEMBL28427488

CCCOS(=O)(=O)c1ccc(C)c(-c2c(C)c(OC)c(C)c(C)c2OC)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL29068571 0.77 PTGS2 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL29068583 0.75 PTGS2 (0.40) CA2ALDH1A1
SCHEMBL28602434 0.74 PIK3CD (0.41) CA2
SCHEMBL28719323 0.72 KMT2A (0.42) CA2SMN1; SMN2
SCHEMBL6506817 0.71 MAPT (0.40) CA2SMN1; SMN2ALDH1A1
SCHEMBL2491524 0.71 CA2 (0.40) CA2ALDH1A1GAA
SCHEMBL1707826 0.70 LMNA (0.39) CA2SMN1; SMN2ALDH1A1
SCHEMBL4602235 0.69 TAS1R3 (0.36) CA2ALDH1A1GAA
SCHEMBL28222876 0.69 CA2 (0.36) CA2
SCHEMBL28716356 0.69 HTT (0.43) CA2SMN1; SMN2ALDH1A1

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-115109116-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-09-27 CN disclosed
CN-111278807-B Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-07-22 CN disclosed
CN-111278807-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2020-06-12 CN disclosed