SCHEMBL2560897

SCHEMBL2560897

COc1ccc(C=O)cc1OC(C)C(=O)NC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 3/20 0.47
AOX1 Q06278 1/20 0.47
TRIM24 O15164 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
FDPS P14324 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 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
SCHEMBL2557568 0.96 ALDH1A1 (0.56) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL15330014 0.86 ALDH1A1 (0.57) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL2556399 0.85 ALDH1A1 (0.55) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL2558634 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL29956887 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL2559012 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL2553498 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL29956939 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL15331833 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHPGDAOX1TRIM24
SCHEMBL2560457 0.81 HDAC1 (0.65) ALDH1A1TSHRHPGDAOX1TRIM24

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