SCHEMBL422184

SCHEMBL422184

O=C(O[C@@H]1C=C(COC(=O)c2ccccc2)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]21)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)CC[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSP90AA1 P07900 7/20 0.39
▸ PTPN1 P18031 5/20 0.39
▸ ELANE P08246 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7153129 0.79 L3MBTL1 (0.67) L3MBTL1HSP90AA1PTPN1
SCHEMBL29374383 0.77 STAT3 (0.42) PTPN1POLBCTDSP1MAPTMEN1
SCHEMBL29373472 0.74 MAPT (0.49) PTPN1POLBCTDSP1MAPTMEN1
SCHEMBL29425816 0.74 L3MBTL1 (0.63) L3MBTL1HSP90AA1ELANEPOLBCTDSP1
SCHEMBL29425802 0.73 STAT3 (0.52) POLBCTDSP1MAPTMEN1KMT2A
Agnuside SCHEMBL24174405 0.73 L3MBTL1 (0.67) L3MBTL1HSP90AA1
Agnuside SCHEMBL382107 0.73 L3MBTL1 (0.67) L3MBTL1HSP90AA1
Agnuside SCHEMBL13208121 0.73 L3MBTL1 (0.67) L3MBTL1HSP90AA1
SCHEMBL29425792 0.71 STAT3 (0.41) POLBCTDSP1MAPTMEN1KMT2A
SCHEMBL421128 0.68 L3MBTL1 (0.70) L3MBTL1HSP90AA1PTPN1ELANEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409766-B1 AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS N ZYME BIOTEC GMBH (DE) 2022-03-09 — — EP disclosed
EP-3409766-A1 AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS N-Zyme BioTec GmbH (DE) 2018-12-05 — — EP disclosed
US-20150086655-A1 Morinda Citrifolia Juice Formulations Comprising Iridoids WEST BRETT JUSTIN (US) 2015-03-26 — — US disclosed
US-8790727-B2 Morinda citrifolia and iridoid based formulations TAHITIAN NONI INTERNATIONAL, INC. (US) 2014-07-29 — — US disclosed
US-8679550-B2 Morinda citrifolia juice formulations comprising iridoids TAHITIAN NONI INTERNATIONAL, INC. (US) 2014-03-25 — — US disclosed
US-20120328720-A1 Iridoid Based Formulations MORINDA, INC. 2012-12-27 — — US disclosed
US-20120021079-A1 Garcinia Mangostana L. and Iridoid Based Formulations TAHITIAN NONI INTERNATIONAL, INC. 2012-01-26 — — US disclosed
US-20110217394-A1 Iridoid Based Formulations WEST BRETT JUSTIN 2011-09-08 — — US disclosed
WO-2011106432-A2 MORINDA CITRIFOLIA AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
WO-2011106423-A2 ACAI AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
WO-2011106417-A2 GARCINIA MANGOSTANA L. AND IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
WO-2011106448-A2 IRIDOID BASED FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2011-09-01 — — WO disclosed
US-20110206786-A1 Acai and Iridoid Based Formulations TAHITIAN NONI INTERNATIONAL, INC. 2011-08-25 — — US disclosed
US-20110206787-A1 Morinda Citrifolia and Iridoid Based Formulations MORINDA, INC. 2011-08-25 — — US disclosed
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