SCHEMBL29953839

SCHEMBL29953839

CCNC(=O)C(C)Oc1ccc(OC)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
ERN1 O75460 5/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HPGD P15428 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 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
SCHEMBL2559877 0.90 KDM4E (0.51) SMN1; SMN2KDM4ERAB9AERN1ALDH1A1
SCHEMBL29954207 0.90 ALDH1A1 (0.52) SMN1; SMN2KDM4ERAB9AERN1LMNA
SCHEMBL2557556 0.87 RAB9A (0.47) SMN1; SMN2KDM4ERAB9AERN1ALDH1A1
SCHEMBL2561388 0.87 RAB9A (0.47) SMN1; SMN2KDM4ERAB9AERN1ALDH1A1
SCHEMBL15331368 0.86 KDM4E (0.50) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL2560950 0.85 KDM4E (0.52) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL15331541 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KDM4ELMNAATMALDH1A1
SCHEMBL2557934 0.82 KDM4E (0.47) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL5561673 0.81 ERN1 (0.51) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL29953044 0.81 SMYD3 (0.47) KDM4ERAB9AERN1ALDH1A1HPGD

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 1 patent. 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