SCHEMBL420373

SCHEMBL420373

C[C@@H]1O[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.73
▸ XDH P47989 1/20 0.55
▸ SELP P16109 5/20 0.41
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SELE P16581 1/20 0.39
▸ LGALS9 O00182 2/20 0.38
▸ LGALS1 P09382 2/20 0.38
▸ LGALS3 P17931 2/20 0.38
▸ LGALS7; LGALS7B P47929 2/20 0.38

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
SCHEMBL421130 0.95 HSP90AA1 (0.72) HSP90AA1XDHSELPPOLBCTDSP1
SCHEMBL419313 0.85 HSP90AA1 (0.71) HSP90AA1XDHKDM4EGLACYP3A4
Catalposide SCHEMBL419598 0.84 HSP90AA1 (1.00) HSP90AA1XDHPOLBCTDSP1KDM4E
SCHEMBL29733539 0.82 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL19004036 0.82 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL31345813 0.82 HSP90AA1 (0.70) HSP90AA1XDHPOLBCTDSP1KDM4E
SCHEMBL29426089 0.81 HSP90AA1 (0.73) HSP90AA1XDHKDM4EGLACYP3A4
SCHEMBL29425944 0.81 HSP90AA1 (0.70) HSP90AA1XDHKDM4EGLACYP3A4
Verproside SCHEMBL31619362 0.81 HSP90AA1 (0.83) HSP90AA1XDHPOLBCTDSP1KDM4E
Verproside SCHEMBL2449966 0.81 HSP90AA1 (0.83) HSP90AA1XDHPOLBCTDSP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2011106417-A2 GARCINIA MANGOSTANA L. AND 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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