Sugi Predict

Sugi Predict / Compounds / SCHEMBL30430130

SCHEMBL30430130

SCHEMBL30430130

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.82
▸ MAPT P10636 5/20 0.82
▸ GAA P10253 5/20 0.82
▸ POLB P06746 4/20 0.82
▸ EPHX2 P34913 3/20 0.82
▸ XDH P47989 3/20 0.82
▸ KDM1A O60341 2/20 0.82
▸ HMGB1 P09429 2/20 0.82
▸ ADRA2C P18825 2/20 0.82
▸ MAOA P21397 2/20 0.82
▸ MAPK1 P28482 2/20 0.82
▸ HES1 Q14469 2/20 0.82
▸ FANCF Q9NPI8 2/20 0.82
▸ PRSS1 P07477 1/20 0.82
▸ PRSS2 P07478 1/20 0.82
▸ ADRA2A P08913 1/20 0.82
▸ CFTR P13569 1/20 0.82
▸ ACHE P22303 1/20 0.82
▸ PRSS3 P35030 1/20 0.82
▸ BACE1 P56817 1/20 0.82

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
SCHEMBL29825130 0.96 P4HB (0.88) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL30637460 0.95 KDM4E (0.83) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL20801883 0.95 KDM4E (0.83) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL20802110 0.95 KDM4E (0.83) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL20801873 0.95 KDM4E (0.83) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL29366789 0.95 P4HB (0.88) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL14417016 0.95 P4HB (0.88) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL1566365 0.95 P4HB (0.88) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL14420999 0.95 P4HB (0.88) KDM4EMAPTGAAPOLBEPHX2
SCHEMBL26944648 0.94 KDM4E (0.73) KDM4EMAPTGAAPOLBEPHX2

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-113740458-B Method for identifying picking seasons of tea leaves of shoume white tea 福建省农业科学院茶叶研究所 2023-05-26 — — CN disclosed
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