SCHEMBL22678451

SCHEMBL22678451

CC1OC(OC2C(OCC3OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 5/20 0.88
▸ POLB P06746 3/20 0.88
▸ GAA P10253 3/20 0.88
▸ XDH P47989 2/20 0.88
▸ APEX1 P27695 2/20 0.88
▸ RECQL P46063 2/20 0.88
▸ L3MBTL1 Q9Y468 2/20 0.88
▸ KDM4E B2RXH2 4/20 0.78
▸ MAPT P10636 2/20 0.78
▸ HES1 Q14469 2/20 0.78
▸ FANCF Q9NPI8 2/20 0.78
▸ KDM1A O60341 1/20 0.78
▸ PRSS1 P07477 1/20 0.78
▸ PRSS2 P07478 1/20 0.78
▸ ADRA2A P08913 1/20 0.78
▸ HMGB1 P09429 1/20 0.78
▸ CFTR P13569 1/20 0.78
▸ ADRA2C P18825 1/20 0.78
▸ MAOA P21397 1/20 0.78
▸ ACHE P22303 1/20 0.78

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
Mauritianin SCHEMBL18167030 0.97 P4HB (0.88) P4HBPOLBGAAXDHAPEX1
Mauritianin SCHEMBL572330 0.97 P4HB (0.88) P4HBPOLBGAAXDHAPEX1
Mauritianin SCHEMBL3746601 0.97 P4HB (0.88) P4HBPOLBGAAXDHAPEX1
Mauritianin SCHEMBL572331 0.97 P4HB (0.88) P4HBPOLBGAAXDHAPEX1
Mauritianin SCHEMBL30003610 0.97 P4HB (0.88) P4HBPOLBGAAXDHAPEX1
SCHEMBL29436868 0.95 P4HB (0.84) P4HBPOLBGAAXDHAPEX1
SCHEMBL22678450 0.95 P4HB (0.89) P4HBPOLBGAAXDHAPEX1
Camelliaside A SCHEMBL29882538 0.94 P4HB (0.83) P4HBPOLBGAAXDHAPEX1
Camelliaside A SCHEMBL13328501 0.94 P4HB (0.83) P4HBPOLBGAAXDHAPEX1
Camelliaside A SCHEMBL30637486 0.94 P4HB (0.83) P4HBPOLBGAAXDHAPEX1

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
WO-2020231333-A1 TYROSINASE INHIBITORS AND THEIR USES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-11-19 — — WO disclosed
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