SCHEMBL419313

SCHEMBL419313

CC(=O)O[C@H]1[C@@H](O)[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)O[C@@H](C)[C@@H]1OC(=O)/C=C/c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.71
▸ XDH P47989 1/20 0.56
▸ CYP3A4 P08684 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PRKCA P17252 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ ELANE P08246 1/20 0.36

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
SCHEMBL29733539 0.97 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL19004036 0.97 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29425944 0.95 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL23685612 0.92 HSP90AA1 (0.65) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29426089 0.91 HSP90AA1 (0.73) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29426068 0.90 HSP90AA1 (0.70) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29425878 0.90 HSP90AA1 (0.80) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL419954 0.88 HSP90AA1 (0.60) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29546041 0.87 HSP90AA1 (0.76) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29425876 0.87 HSP90AA1 (0.84) HSP90AA1XDHCYP3A4KDM4EGLA

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 13 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-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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