SCHEMBL424262

SCHEMBL424262

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H]12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.60
▸ STAT3 P40763 15/20 0.54
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL421478 0.94 ELANE (0.60) ELANESTAT3MAPTMEN1KMT2A
Arbortristoside C SCHEMBL422794 0.93 ELANE (0.62) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL421961 0.89 ELANE (0.58) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL420506 0.87 ELANE (0.62) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL424577 0.83 ELANE (0.58) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL29827955 0.79 STAT3 (0.64) STAT3MAPTMEN1KMT2A
SCHEMBL29426006 0.77 STAT3 (0.64) STAT3MAPTMEN1KMT2A
SCHEMBL31467364 0.76 STAT3 (0.66) ELANESTAT3MAPT
SCHEMBL30001632 0.75 ELANE (0.89) ELANESTAT3MAPTMEN1KMT2A
SCHEMBL14167719 0.74 KDM4E (0.59) KDM4EGLACYP3A4

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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