SCHEMBL2562676

SCHEMBL2562676

CC(C)CCOc1ccc2ccccc2c1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
MCHR1 Q99705 1/20 0.44
HTT P42858 1/20 0.43
HTR1B P28222 6/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NR2E1 Q9Y466 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1D P28221 1/20 0.37
SLC2A1 P11166 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL15331311 0.85 SLC2A1 (0.49) TLR8HTR1BTDP1KDM4EALDH1A1
SCHEMBL29956003 0.84 CNR1 (0.51) TLR8MCHR1HTR1BGAATDP1
SCHEMBL15330334 0.82 KDM1A (0.42) HTR1BGAATDP1KDM4EALDH1A1
SCHEMBL14393685 0.82 GAA (0.57) HTR1BGAATDP1L3MBTL1HTR1D
SCHEMBL29951571 0.82 GAA (0.57) HTR1BGAATDP1L3MBTL1HTR1D
SCHEMBL29952915 0.81 CNR1 (0.53) TLR8MCHR1HTTHTR1BGAA
SCHEMBL2558327 0.81 GAA (0.43) HTR1BGAATDP1NR2E1MAPT
SCHEMBL1642006 0.80 ALOX5 (0.50) GAATDP1KDM4EALDH1A1LMNA
SCHEMBL29956903 0.80 ALOX5 (0.50) GAATDP1KDM4EALDH1A1LMNA
SCHEMBL2552647 0.80 HTR1B (0.61) HTR1BKDM4EALDH1A1KMT2AADRB2

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