SCHEMBL2554953

SCHEMBL2554953

CNC(=O)COc1ccc(OC)cc1C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
RAB9A P51151 2/20 0.71
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ERN1 O75460 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.46
BACE1 P56817 1/20 0.45
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
POLB P06746 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
PDE4B Q07343 1/20 0.44
NPC1 O15118 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
SCHEMBL15331330 0.89 ALDH1A1 (0.58) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL15330094 0.88 KDM4E (0.59) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29952430 0.86 RAB9A (0.72) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL8121860 0.86 KDM4E (0.67) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2557701 0.85 KDM4E (0.78) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2561823 0.85 RAB9A (0.67) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29953338 0.85 KDM4E (0.67) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2554836 0.84 KDM4E (0.69) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5882010 0.84 KDM4E (0.64) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2556788 0.83 RAB9A (0.64) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT

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