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SCHEMBL420022

SCHEMBL420022

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(COC(=O)/C=C/c4ccc(O)cc4)O[C@@H]23)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.73
▸ XDH P47989 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ AMY2A P04746 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PRKCA P17252 2/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41

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
SCHEMBL422812 0.94 HSP90AA1 (0.63) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL422767 0.92 HSP90AA1 (0.74) HSP90AA1XDHCYP3A4ALDH1A1ALOX15
SCHEMBL419954 0.87 HSP90AA1 (0.60) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29425876 0.87 HSP90AA1 (0.84) HSP90AA1XDHSMN1; SMN2CYP3A4KDM4E
SCHEMBL29425878 0.86 HSP90AA1 (0.80) HSP90AA1XDHCYP3A4KDM4EGLA
Specioside SCHEMBL29426185 0.85 HSP90AA1 (1.00) HSP90AA1XDHSMN1; SMN2CYP3A4KDM4E
SCHEMBL9057920 0.84 HSP90AA1 (0.64) HSP90AA1XDHSMN1; SMN2CYP3A4KDM4E
SCHEMBL29426089 0.83 HSP90AA1 (0.73) HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL421930 0.83 HSP90AA1 (0.61) HSP90AA1XDHCYP3A4ALDH1A1ALOX15
SCHEMBL29425942 0.83 HSP90AA1 (0.62) HSP90AA1XDHSMN1; SMN2CYP3A4KDM4E

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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