SCHEMBL29684265

SCHEMBL29684265

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccc(OC)cc2)C1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 2/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 1/20 0.59
ADORA3 P0DMS8 2/20 0.58
CACNA1C Q13936 3/20 0.54
CACNA1F O60840 2/20 0.54
CACNA1D Q01668 2/20 0.54
CACNA1S Q13698 2/20 0.54
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL29684142 0.89 CACNA1C (0.56) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL7820629 0.85 MAPT (0.61) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL10830852 0.85 ADORA3 (0.72) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL7815344 0.83 ADORA3 (0.74) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL23686104 0.81 KDM4E (0.69) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL23686116 0.81 KMT2A (0.70) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL11862107 0.81 ADORA3 (0.66) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL24469031 0.79 ALDH1A1 (0.68) LMNAALDH1A1KDM4EHSD17B10GAA
SCHEMBL29684283 0.79 ADORA3 (0.50) LMNAKDM4EADORA3CACNA1CCACNA1F
SCHEMBL7806771 0.79 ALDH1A1 (0.54) LMNAALDH1A1KDM4EHSD17B10GAA

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
WO-2022114187-A1 COMPOUND HAVING INHIBITORY ACTION AGAINST EXCESSIVE MITOCHONDRIAL DIVISIONS 国立大学法人九州大学 2022-06-02 WO disclosed