SCHEMBL2557585

SCHEMBL2557585

CC(C)CCN(C)CCOc1cccc(B(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 6/20 0.40
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2559788 0.84 ENPP2 (0.54) ENPP2TSHRSMN1; SMN2MAPK1
SCHEMBL2556749 0.83 KCNH2 (0.43) ENPP2KDM4ETSHRKCNH2LMNA
SCHEMBL3652437 0.82 CHRNB2 (0.64) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL2562215 0.82 LPL (0.47) ENPP2CHRNB2CHRNA4ALDH1A1TSHR
SCHEMBL2562067 0.82 ENPP2 (0.49) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL2552738 0.81 KDM4E (0.54) ENPP2CHRNB2CHRNA4KDM4ETSHR
SCHEMBL15329634 0.79 ENPP2 (0.45) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL2560746 0.77 ENPP2 (0.46) ENPP2ALDH1A1KDM4ETSHRLMNA
SCHEMBL2559626 0.77 ENPP2 (0.46) ENPP2CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL2563645 0.77 ENPP2 (0.46) ENPP2ALDH1A1KDM4ETSHRSMN1; SMN2

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