SCHEMBL2556724

SCHEMBL2556724

CCCN(CCOc1ccc(B(O)O)cc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ENPP2 Q13822 1/20 0.40
LTA4H P09960 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL2561927 0.83 ENPP2 (0.45) ESR1ENPP2LPLLIPG
SCHEMBL29954450 0.81 BCHE (0.48) ESR1ESR2CA1CA2ENPP2
SCHEMBL27010005 0.80 LTA4H (0.50) LTA4H
SCHEMBL14558304 0.78 MAPK1 (0.57)
SCHEMBL623764 0.77 CA1 (0.57) CA1CA2ENPP2LTA4HLPL
SCHEMBL257577 0.77 LTA4H (0.55) CA1CA2ENPP2LTA4HLPL
SCHEMBL29957821 0.76 EBP (0.61) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL1020230 0.76 HRH3 (0.58) ESR1ESR2CA1CA2ENPP2
SCHEMBL15329753 0.75 EBP (0.49) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL2562997 0.75 CA1 (0.41) ESR1ESR2CA1CA2ENPP2

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