SCHEMBL2562997

SCHEMBL2562997

CCC(CC)N(C)CCOc1ccc(B(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LTA4H P09960 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NR1I2 O75469 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL2559626 0.83 ENPP2 (0.46) ENPP2ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL1020230 0.80 HRH3 (0.58) CA1CA2ENPP2ALDH1A1KDM4E
SCHEMBL29957821 0.78 EBP (0.61) KDM4ESMN1; SMN2HRH3EBPSIGMAR1
SCHEMBL29954450 0.76 BCHE (0.48) CA1CA2ENPP2EBPSIGMAR1
SCHEMBL5637547 0.76 KDM4E (0.62) CA1CA2ENPP2ALDH1A1KDM4E
SCHEMBL2556749 0.75 KCNH2 (0.43) CA1CA2ENPP2KDM4EHRH3
SCHEMBL2556724 0.75 ESR1 (0.40) CA1CA2ENPP2EBPSIGMAR1
SCHEMBL2555790 0.75 LPL (0.45) CA1CA2ALDH1A1KDM4ELTA4H
SCHEMBL623764 0.75 CA1 (0.57) CA1CA2ENPP2LTA4HLPL
SCHEMBL257577 0.75 LTA4H (0.55) CA1CA2ENPP2SMN1; SMN2LTA4H

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