SCHEMBL6573972

SCHEMBL6573972

COc1ccc(CC(O)[N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.58
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
STAT3 P40763 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MMP1 P03956 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
TTR P02766 2/20 0.45
GAA P10253 1/20 0.45
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44

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
SCHEMBL11256355 0.87 ALDH1A1 (0.53) LDHAALDH1A1MMP1MEN1MAPT
SCHEMBL10938132 0.81 LDHA (0.54) LDHAALOX15ALOX12STAT3CA2
SCHEMBL2340159 0.80 LDHA (0.56) LDHAALOX15ALOX12STAT3CA2
SCHEMBL6575924 0.77 LDHA (0.49) LDHAALOX15ALOX12CA2MMP1
SCHEMBL29944173 0.76 LDHA (0.64) LDHAALOX15ALOX12STAT3CA2
SCHEMBL4598863 0.76 LDHA (0.64) LDHAALOX15ALOX12STAT3CA2
SCHEMBL29209157 0.76 LDHA (0.64) LDHAALOX15ALOX12STAT3CA2
SCHEMBL4598867 0.76 LDHA (0.64) LDHAALOX15ALOX12STAT3CA2
SCHEMBL31572667 0.76 LDHA (0.64) LDHAALOX15ALOX12STAT3CA2
SCHEMBL4599982 0.76 LDHA (0.64) LDHAALOX15ALOX12STAT3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed