SCHEMBL17510046

SCHEMBL17510046

COc1cc(C=CC(=O)OC[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.62
▸ EPHX2 P34913 1/20 0.57
▸ MET P08581 8/20 0.56
▸ CA12 O43570 3/20 0.56
▸ CA4 P22748 3/20 0.56
▸ CA6 P23280 3/20 0.56
▸ CA5A P35218 3/20 0.56
▸ CA7 P43166 3/20 0.56
▸ CA9 Q16790 3/20 0.56
▸ CA14 Q9ULX7 3/20 0.56
▸ CA5B Q9Y2D0 3/20 0.56
▸ TTR P02766 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALOX5 P09917 2/20 0.54
▸ NFKB1 P19838 2/20 0.54

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
SCHEMBL18060061 1.00 MAOB (0.62) MAOBEPHX2METCA12CA4
SCHEMBL31689164 1.00 MAOB (0.62) MAOBEPHX2METCA12CA4
SCHEMBL24140171 0.99 MAOB (0.61) MAOBEPHX2METCA12CA4
SCHEMBL3366430 0.89 MAOB (0.60) MAOBEPHX2METCA12CA4
SCHEMBL28390903 0.86 PRKCA (0.68) TTRHSD17B10ALOX5KDM4EMEN1
SCHEMBL6854015 0.85 MAOB (0.62) MAOBEPHX2METCA12CA4
SCHEMBL17938787 0.81 PTPN1 (0.58) EPHX2CA12CA9HSD17B10KDM1A
SCHEMBL29531074 0.81 LDHA (0.72) MAOBEPHX2CA12CA9CA1
SCHEMBL27632141 0.81 LDHA (0.72) MAOBEPHX2CA12CA9CA1
SCHEMBL1029012 0.80 GAA (0.56) MAOBMETCA12CA4CA6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539977-B1 ENZYMES WITH CHLOROGENIC ACID ESTERASE ACTIVITY AND FERULOYL ESTERASE ACTIVITY STERNENZYM GMBH & CO KG (DE) 2022-03-23 — — EP disclosed
EP-3183263-B1 ENZYMES WITH CHLOROGENIC ACID ESTERASE ACTIVITY AND FERULOYL ESTERASE ACTIVITY STERNENZYM GMBH & CO KG (DE) 2020-05-27 — — EP disclosed
EP-3539977-A1 ENZYMES WITH CHLOROGENIC ACID ESTERASE ACTIVITY AND FERULOYL ESTERASE ACTIVITY Stern Enzym GmbH & Co. KG (DE) 2019-09-18 — — EP disclosed
EP-3183263-A1 ENZYMES WITH CHLOROGENIC ACID ESTERASE ACTIVITY AND FERULOYL ESTERASE ACTIVITY Stern Enzym GmbH & Co. KG (DE) 2017-06-28 — — EP disclosed
WO-2016026793-A1 ENZYMES WITH CHLOROGENIC ACID ESTERASE ACTIVITY AND FERULOYL ESTERASE ACTIVITY STERN-ENZYM GMBH & CO. KG (DE) 2016-02-25 — — WO disclosed
EP-2987802-A1 An enzyme with chlorogenic acid esterase activity and feruloyl esterase activity Stern Enzym GmbH & Co. KG (DE) 2016-02-24 — — EP disclosed
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