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Sugi Predict / Compounds / SCHEMBL422972

SCHEMBL422972

SCHEMBL422972

C[C@]1(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]2(O)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SYNJ2 O15056 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ TYR P14679 1/20 0.38
▸ STAT3 P40763 4/20 0.37

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
SCHEMBL9057878 0.91 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EGLACYP3A4
Antirrhinoside SCHEMBL27233579 0.85 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EGLACYP3A4
Antirrhinoside SCHEMBL1424987 0.85 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagide SCHEMBL30132931 0.81 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagide SCHEMBL29385820 0.81 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagide SCHEMBL1425414 0.81 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29425840 0.77 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EGLACYP3A4
Phloyoside I SCHEMBL29426051 0.77 POLB (0.55) POLBCTDSP1MEN1KMT2AMAPT
Phlomiol SCHEMBL9057941 0.77 POLB (0.55) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL29208523 0.76 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EGLACYP3A4

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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