SCHEMBL2553619

SCHEMBL2553619

CC(C)COc1ccc(F)cc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
HTR2A P28223 1/20 0.38
HIF1A Q16665 1/20 0.37
LIPE Q05469 1/20 0.37
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDM1A O60341 1/20 0.35
TLR8 Q9NR97 1/20 0.35
SLC6A9 P48067 2/20 0.34
XDH P47989 1/20 0.34
PTGS1 P23219 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL2555228 0.86 TLR8 (0.39) ALDH1A1LIPETLR8SLC6A9
SCHEMBL2558944 0.84 HTT (0.43) LIPEHTTTLR8XDH
SCHEMBL29955141 0.81 ALDH1A1 (0.49) ALDH1A1GAAHIF1AMAPTPKM
SCHEMBL12538847 0.81 ALDH1A1 (0.49) ALDH1A1GAAHIF1AMAPTPKM
SCHEMBL29952296 0.81 L3MBTL1 (0.42) ALDH1A1LIPEPKMTSHRKDM1A
SCHEMBL1440694 0.81 L3MBTL1 (0.42) ALDH1A1LIPEPKMTSHRKDM1A
SCHEMBL4067016 0.80 KDM1A (0.51) ALDH1A1GAAKDM1A
SCHEMBL2563362 0.79 HTT (0.37) ALDH1A1HTTTLR8
SCHEMBL21937370 0.79 ALDH1A1 (0.49) ALDH1A1GAAHTR2AMAPTTHRB
SCHEMBL1648162 0.79 LIPE (0.58) ALDH1A1GAALIPEMAPTTSHR

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