SCHEMBL2552738

SCHEMBL2552738

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
ESR1 P03372 3/20 0.44
ENPP2 Q13822 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNA7 P36544 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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 0.89 KDM4E (0.58) KDM4ETSHRESR1ENPP2MAPT
SCHEMBL2551679 0.84 ENPP2 (0.50) KDM4ETSHRESR1ENPP2CHRNB2
SCHEMBL15329753 0.84 EBP (0.49) KDM4ETSHRESR1MAPTKMT2A
SCHEMBL2559125 0.83 TSHR (0.52) KDM4ETSHRESR1ENPP2
SCHEMBL29951803 0.82 ENPP2 (0.50) KDM4ETSHRESR1ENPP2CHRNB2
SCHEMBL2559788 0.81 ENPP2 (0.54) TSHRENPP2MAPTKMT2ASMN1; SMN2
SCHEMBL3652437 0.81 CHRNB2 (0.64) KDM4EESR1ENPP2CHRNB2CHRNA4
SCHEMBL2557585 0.81 ENPP2 (0.45) KDM4ETSHRENPP2CHRNB2CHRNA4
SCHEMBL2561927 0.78 ENPP2 (0.45) KDM4ETSHRESR1ENPP2CHRNB2
SCHEMBL2559626 0.76 ENPP2 (0.46) KDM4ETSHRESR1ENPP2CHRNB2

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