SCHEMBL2556331

SCHEMBL2556331

COc1ccc(C=O)c(OCCC(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HDAC8 Q9BY41 6/20 0.49
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
ERN1 O75460 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
LY96 Q9Y6Y9 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL2560931 0.90 KDM4E (0.55) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL8154071 0.87 ALDH1A1 (0.59) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL2557047 0.86 ERN1 (0.45) ALDH1A1HDAC8KDM4ERAB9AERN1
SCHEMBL2558788 0.86 ALDH1A1 (0.61) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL2554393 0.84 ALDH1A1 (0.55) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL8447028 0.84 ALDH1A1 (0.71) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL5879172 0.83 ALDH1A1 (0.58) ALDH1A1HDAC8ERN1MAPTMEN1
SCHEMBL21601619 0.83 ALDH1A1 (0.54) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL5882846 0.82 ALDH1A1 (0.65) ALDH1A1HDAC8TRIM24TYRTRIM33
SCHEMBL29955065 0.82 ALDH1A1 (0.52) ALDH1A1HDAC8TRIM24TYRTRIM33

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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