SCHEMBL420937

SCHEMBL420937

CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ STAT3 P40763 9/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ IL2 P60568 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL29425792 0.91 STAT3 (0.41) MAPTSTAT3MEN1KMT2APOLB
SCHEMBL29373472 0.89 MAPT (0.49) MAPTSTAT3MEN1KMT2APOLB
SCHEMBL29426112 0.85 MAPT (0.51) MAPTSTAT3MEN1KMT2APOLB
SCHEMBL29425802 0.80 STAT3 (0.52) MAPTSTAT3MEN1KMT2APOLB
SCHEMBL29374383 0.79 STAT3 (0.42) MAPTSTAT3MEN1KMT2APOLB
Asperulosidic Acid SCHEMBL29459346 0.72 MAPT (0.52) MAPTSTAT3MEN1KMT2APOLB
Asperulosidic Acid SCHEMBL422107 0.72 MAPT (0.52) MAPTSTAT3MEN1KMT2APOLB
SCHEMBL31228947 0.72 PTPN1 (0.57) MAPTPTPN1
SCHEMBL24305979 0.70 MAPT (0.52) MAPTSTAT3MEN1KMT2APOLB
SCHEMBL24305717 0.70 MAPT (0.54) MAPTSTAT3MEN1KMT2APOLB

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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