SCHEMBL15330720

SCHEMBL15330720

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ERN1 O75460 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL15329977 0.89 ERN1 (0.50) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15329865 0.87 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL2559695 0.85 ALDH1A1 (0.52) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15333068 0.84 ERN1 (0.47) ALDH1A1ERN1MEN1KMT2AHDAC8
SCHEMBL15331830 0.83 ALDH1A1 (0.56) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15331760 0.82 ALDH1A1 (0.55) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL2559187 0.82 ALDH1A1 (0.55) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL899151 0.82 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15329955 0.81 ALDH1A1 (0.50) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL29954207 0.80 ALDH1A1 (0.52) ALDH1A1TRIM24TYRTRIM33ERN1

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 5 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