SCHEMBL28927809

SCHEMBL28927809

CCOC(=O)c1cc(O)c(O)c(O)c1C

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA7 P43166 5/20 0.54
CA9 Q16790 5/20 0.54
CA14 Q9ULX7 5/20 0.54
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12671751 0.85 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11049782 0.84 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL322149 0.82 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL11061303 0.81 LMNA (0.53) CA12CA1CA2CA7CA9
SCHEMBL2534149 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28451530 0.76 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL8167665 0.76 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL9129292 0.76 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL796110 0.76 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL639072 0.76 ALDH1A1 (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed