SCHEMBL421961

SCHEMBL421961

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/c3ccc(O)c(O)c3)[C@@H](O)[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.58
▸ HSP90AA1 P07900 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ STAT3 P40763 11/20 0.51
▸ PRKCA P17252 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KDM1A O60341 1/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 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
SCHEMBL424577 0.94 ELANE (0.58) ELANEHSP90AA1ALDH1A1CYP3A4ALOX15
Arbortristoside C SCHEMBL422794 0.92 ELANE (0.62) ELANEHSP90AA1STAT3MEN1MAPT
SCHEMBL424262 0.89 ELANE (0.60) ELANECYP3A4STAT3MEN1MAPT
SCHEMBL420506 0.86 ELANE (0.62) ELANEHSP90AA1STAT3MEN1MAPT
SCHEMBL421478 0.83 ELANE (0.60) ELANECYP3A4STAT3MEN1MAPT
SCHEMBL31179934 0.79 MAPT (0.61) ELANEHSP90AA1ALDH1A1CYP3A4ALOX15
SCHEMBL29827955 0.77 STAT3 (0.64) STAT3MEN1MAPTKMT2A
SCHEMBL3986428 0.76 GAA (0.65) HSP90AA1ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL546757 0.76 GAA (0.65) HSP90AA1ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL15147273 0.76 GAA (0.65) HSP90AA1ALDH1A1CYP3A4ALOX15MAPK1

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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