SCHEMBL15329977

SCHEMBL15329977

COc1ccc(OC(C)C(N)=O)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
LMNA P02545 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HTT P42858 1/20 0.40
ICAM1 P05362 1/20 0.40

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
SCHEMBL15330720 0.89 ALDH1A1 (0.59) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL5561673 0.87 ERN1 (0.51) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL2557934 0.85 KDM4E (0.47) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL15331368 0.83 KDM4E (0.50) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL15329716 0.82 SRC (0.42) ERN1ALDH1A1HDAC1HDAC2HDAC8
SCHEMBL2560950 0.82 KDM4E (0.52) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL15329769 0.82 KDM4E (0.55) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL11683768 0.82 ERN1 (0.56) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL27945949 0.82 ALDH1A1 (0.56) ERN1KDM4ERAB9AALDH1A1TRIM24
SCHEMBL2555552 0.81 PTGDR2 (0.51) ERN1ALDH1A1HDAC1HDAC2HDAC8

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 5 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