SCHEMBL2556271

SCHEMBL2556271

CCOCCOc1ccc(B(O)O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
NCF1 P14598 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 5/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ENPP2 Q13822 1/20 0.36
VDR P11473 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RARB P10826 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL29957542 0.85 ESR1 (0.42) HTTSMN1; SMN2KDM4EALDH1A1ESR1
SCHEMBL4814769 0.85 ESR1 (0.42) HTTSMN1; SMN2KDM4EALDH1A1ESR1
SCHEMBL3659031 0.85 ESR1 (0.46) HTTSMN1; SMN2KDM4EALDH1A1ESR1
SCHEMBL29954924 0.85 ESR1 (0.46) HTTSMN1; SMN2KDM4EALDH1A1ESR1
SCHEMBL29954628 0.84 ESR1 (0.51) ESR1LPLLIPG
SCHEMBL2561666 0.84 KDR (0.45) HTR1AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29951984 0.83 ESR1 (0.51) ESR1LPLLIPG
SCHEMBL15330986 0.79 KDM4E (0.44) HTTSMN1; SMN2KDM4EALDH1A1ESR1
SCHEMBL7922026 0.79 HTT (0.39) HTR1ANCF1HTTSMN1; SMN2KDM4E
SCHEMBL2556651 0.78 ESR1 (0.51) HTR1AHTTSMN1; SMN2ESR1KMT2A

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