SCHEMBL2554931

SCHEMBL2554931

COc1ccc(COc2cc(B(O)O)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.45
APP P05067 5/20 0.44
ENPP2 Q13822 3/20 0.44
AR P10275 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SLC2A1 P11166 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL31580790 0.86 MAOB (0.51) MAOBENPP2POLB
SCHEMBL30724173 0.86 APP (0.54) MAOBAPPARNPC1POLB
SCHEMBL1409616 0.81 ENPP2 (0.47) ENPP2RAB9ACA1CA2MGLL
SCHEMBL17205237 0.80 MAOB (0.49) MAOBAPPARNPC1POLB
SCHEMBL22563 0.77 ENPP2 (0.67) MAOBAPPENPP2NPC1RAB9A
SCHEMBL12260219 0.77 RXRA (0.47) MAOBPOLBMGLL
SCHEMBL29950784 0.77 RXRA (0.47) MAOBPOLBMGLL
SCHEMBL18164596 0.77 MAOB (0.70) MAOBAPPNPC1POLBRAB9A
SCHEMBL2557358 0.77 ENPP2 (0.68) MAOBAPPENPP2NPC1POLB
SCHEMBL1982099 0.77 ENPP2 (0.68) MAOBAPPENPP2NPC1POLB

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 7 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
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