SCHEMBL31058466

SCHEMBL31058466

COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OC

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.86
ALOX5 P09917 11/20 0.83
NOX4 Q9NPH5 1/20 0.72
XDH P47989 1/20 0.70
ABCB1 P08183 1/20 0.67
ABCG2 Q9UNQ0 1/20 0.67

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
SCHEMBL29143220 1.00 MKNK2 (0.86) MKNK2ALOX5NOX4XDHABCB1
SCHEMBL10432667 0.93 MKNK2 (1.00) MKNK2ALOX5NOX4XDHABCB1
Chrysosplenol D SCHEMBL29359614 0.93 ALOX5 (0.83) MKNK2ALOX5XDHABCB1ABCG2
Chrysosplenol D SCHEMBL11133546 0.93 ALOX5 (0.83) MKNK2ALOX5XDHABCB1ABCG2
SCHEMBL16760583 0.93 MKNK2 (0.82) MKNK2ALOX5NOX4XDHABCB1
Patuletin SCHEMBL29929193 0.90 XDH (0.86) MKNK2ALOX5NOX4XDHABCB1
Patuletin SCHEMBL29929679 0.90 XDH (0.86) MKNK2ALOX5NOX4XDHABCB1
Patuletin SCHEMBL1144553 0.90 XDH (0.86) MKNK2ALOX5NOX4XDHABCB1
SCHEMBL38660678 0.89 MKNK2 (0.84) MKNK2ALOX5XDHABCB1ABCG2
SCHEMBL1144456 0.88 ABCB1 (0.86) MKNK2ALOX5NOX4XDHABCB1

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-118304334-A Preparation and application of traditional Chinese medicine fructus rhodomyrti liver protection active ingredient 北京工业大学 2024-07-09 CN claimed