SCHEMBL2558772

SCHEMBL2558772

CCCN(CC(=O)NC)c1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
ALDH3A1 P30838 4/20 0.54
ALDH1A3 P47895 3/20 0.54
KDM4E B2RXH2 5/20 0.44
GAA P10253 4/20 0.44
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
GFER P55789 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ESRRG P62508 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL29952860 0.89 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL1607796 0.82 ALDH3A1 (0.73) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL6847300 0.80 ALDH1A1 (0.59) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2555022 0.80 CYP2A6 (0.48) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2559648 0.79 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2560265 0.79 ALDH1A1 (0.51) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2559701 0.78 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL22562994 0.76 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL2558656 0.75 ALDH1A1 (0.38) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA
SCHEMBL29955092 0.75 ALDH1A1 (0.62) ALDH1A1ALDH3A1ALDH1A3KDM4EGAA

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