SCHEMBL2551679

SCHEMBL2551679

CCN(CCOC)CCOc1cccc(B(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
ESR1 P03372 2/20 0.46
CYP2D6 P10635 1/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAOB P27338 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1B Q00975 1/20 0.41
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL29951590 0.92 KDM4E (0.58) ENPP2KDM4ETSHRESR1CYP2D6
SCHEMBL2559125 0.88 TSHR (0.52) ENPP2KDM4ETSHRESR1
SCHEMBL29951803 0.85 ENPP2 (0.50) ENPP2KDM4ETSHRESR1KMT2A
SCHEMBL2552738 0.84 KDM4E (0.54) ENPP2KDM4ETSHRESR1MAPT
SCHEMBL2552678 0.83 EBP (0.51) ENPP2KDM4EESR1CYP2D6MAPT
SCHEMBL6586842 0.82 ENPP2 (0.62) ENPP2KDM4ETSHRCYP2D6
SCHEMBL914422 0.81 ENPP2 (0.61) ENPP2KDM4ECYP2D6
SCHEMBL2562067 0.80 ENPP2 (0.49) ENPP2KDM4ECYP2D6CHRNB2CHRNA4
SCHEMBL3652437 0.80 CHRNB2 (0.64) ENPP2KDM4EESR1MAPTKMT2A
SCHEMBL7992 0.78 ENPP2 (0.59) ENPP2KDM4ETSHRKMT2A

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