SCHEMBL419101

SCHEMBL419101

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C1[C@@H]1O[C@@H]1[C@]21OC(=O)/C(=C/c2ccc(O)cc2)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ ELANE P08246 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ STAT3 P40763 8/20 0.43
▸ HSP90AA1 P07900 4/20 0.41
▸ IL2 P60568 1/20 0.41
▸ XDH P47989 1/20 0.40

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
SCHEMBL29426167 1.00 JUN (0.50) JUNPOLBCTDSP1ELANEMEN1
SCHEMBL29425978 0.83 POLB (0.60) JUNPOLBCTDSP1ELANEMEN1
SCHEMBL29425956 0.83 POLB (0.60) JUNPOLBCTDSP1ELANEMEN1
Citrifolinin B Epimer A SCHEMBL31179903 0.80 POLB (0.61) JUNPOLBCTDSP1ELANEMEN1
SCHEMBL31179922 0.78 JUN (0.54) JUNPOLBCTDSP1MEN1MAPT
Epoxygaertneroside SCHEMBL29426071 0.77 POLB (0.48) JUNPOLBCTDSP1ELANEMEN1
SCHEMBL29425991 0.76 POLB (0.61) JUNPOLBCTDSP1ELANEMEN1
SCHEMBL30833264 0.73 POLB (0.51) JUNPOLBCTDSP1ELANEMEN1
Phlorigidoside C SCHEMBL29425891 0.70 POLB (0.61) JUNPOLBCTDSP1ELANEMEN1
Lamalbid SCHEMBL9056954 0.70 POLB (0.66) JUNPOLBCTDSP1ELANEMEN1

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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