SCHEMBL2557568

SCHEMBL2557568

COc1cc(C=O)ccc1OC(C)C(=O)NC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
TSHR P16473 1/20 0.56
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
FDPS P14324 1/20 0.47
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
AOX1 Q06278 1/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
POLB P06746 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 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
SCHEMBL2560897 0.96 ALDH1A1 (0.54) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL2553498 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL2560457 0.85 HDAC1 (0.65) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL2561138 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL15330014 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL29951719 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL2556399 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL2560234 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL2558634 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHDAC1HDAC2HDAC8
SCHEMBL15331074 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHDAC1HDAC2HDAC8

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