SCHEMBL7435954

SCHEMBL7435954

CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.75
▸ KMT2A Q03164 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ MEN1 O00255 3/20 0.56
▸ MAPT P10636 6/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL7435949 1.00 GLO1 (0.75) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL8018753 0.91 GLO1 (0.90) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL10668637 0.89 GLO1 (0.62) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL10668623 0.88 GLO1 (0.71) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL10668631 0.88 GLO1 (0.71) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL6137191 0.86 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL29419558 0.86 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL6137188 0.86 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL7312484 0.86 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E
SCHEMBL29419555 0.86 GLO1 (1.00) GLO1KMT2ALMNAALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4607041-A CARDIOTONIC AGENTS FISONS PLC (GB) 1986-08-19 — — US disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 — — EP disclosed
Send feedback