SCHEMBL2557358

SCHEMBL2557358

COc1ccc(OCc2ccc(B(O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.68
▸ CA1 P00915 1/20 0.68
▸ CA2 P00918 1/20 0.68
▸ APP P05067 7/20 0.61
▸ MAOB P27338 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ FFAR1 O14842 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PLA2G4B P0C869 1/20 0.51

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
SCHEMBL1982099 1.00 ENPP2 (0.68) ENPP2CA1CA2APPMAOB
SCHEMBL23495542 0.95 ENPP2 (0.61) ENPP2CA1CA2APPMAOB
SCHEMBL12420267 0.91 APP (0.54) ENPP2CA1CA2APP
SCHEMBL14378796 0.87 CA1 (0.70) ENPP2CA1CA2APPNPC1
SCHEMBL257784 0.86 ENPP2 (0.65) ENPP2CA1CA2APPMAOB
SCHEMBL16687435 0.86 MAOB (0.58) ENPP2CA1CA2APPMAOB
SCHEMBL2553625 0.86 MAOB (0.58) ENPP2CA1CA2APPMAOB
SCHEMBL2556148 0.86 LPL (0.68) ENPP2CA1CA2APPNPC1
SCHEMBL20000873 0.84 APP (0.80) APPMAOBNPC1POLBRAB9A
SCHEMBL16687441 0.84 APP (0.47) ENPP2CA1CA2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
CN-110577457-B Copper-catalyzed carboxylation reaction method of arylboronic acid and carbon dioxide 北京大学 2021-02-02 — — CN disclosed
CN-110577457-A Copper-catalyzed carboxylation reaction method of arylboronic acid and carbon dioxide 北京大学 2019-12-17 — — CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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