SCHEMBL2559583

SCHEMBL2559583

COc1cc(C=O)cc(OC)c1OCC(C)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
TRIM24 O15164 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15331565 0.91 ALDH1A1 (0.54) ALDH1A1MAPK1TSHRL3MBTL1KDM4E
SCHEMBL2555018 0.84 ALDH1A1 (0.57) ALDH1A1TSHRFDPSKDM4EPDCD1
SCHEMBL15330284 0.83 FDPS (0.60) ALDH1A1TSHRFDPSKDM4ESMN1; SMN2
SCHEMBL2560624 0.82 SRC (0.44) ALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL7460422 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1TSHRL3MBTL1FDPS
SCHEMBL2557321 0.79 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRL3MBTL1FDPS
SCHEMBL2560577 0.77 SRC (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDPOLB
SCHEMBL15331848 0.77 ALDH1A1 (0.60) ALDH1A1MAPK1TSHRL3MBTL1FDPS
SCHEMBL14835623 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRL3MBTL1FDPS
SCHEMBL2558195 0.74 ALDH1A1 (0.51) ALDH1A1MAPK1TSHRL3MBTL1FDPS

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