SCHEMBL2557697

SCHEMBL2557697

COCCCN(C)CCOc1ccc(B(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.47
LTA4H P09960 6/20 0.44
DRD2 P14416 1/20 0.44
KCNH2 Q12809 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ENPP2 Q13822 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2555790 0.85 LPL (0.45) LTA4HKCNH2CA1CA2KDM4E
SCHEMBL2561437 0.84 CA2 (0.55) LTA4HCA1CA2ENPP2
SCHEMBL2562067 0.83 ENPP2 (0.49) FDPSLTA4HKCNH2ENPP2KDM4E
SCHEMBL5637547 0.81 KDM4E (0.62) LTA4HCA1CA2ENPP2KDM4E
SCHEMBL2556749 0.79 KCNH2 (0.43) FDPSDRD2KCNH2CA1CA2
SCHEMBL1020230 0.79 HRH3 (0.58) LTA4HDRD2KCNH2CA1CA2
SCHEMBL247173 0.79 CA2 (0.57) CA1CA2ENPP2KDM4E
SCHEMBL29954989 0.79 LPL (0.42) KCNH2CA1CA2ENPP2
SCHEMBL7334085 0.78 ENPP2 (0.48) CA1CA2ENPP2
SCHEMBL7334346 0.78 ENPP2 (0.48) CA1CA2ENPP2

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