SCHEMBL854609

SCHEMBL854609

O=[N+]([O-])C1CCCC1=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 3/20 0.39
F3 P13726 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA7 P36544 1/20 0.38
FBP1 P09467 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
PRMT1 Q99873 1/20 0.37
AKR1C3 P42330 2/20 0.35
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28780191 0.80 ALDH1A1 (0.45) GAAPOLBMAPTHPGDCYP1A2
SCHEMBL27699504 0.73 CYP1A2 (0.42) GAAPOLBMAPTHPGDCYP1A2
SCHEMBL10405098 0.70 HPGD (0.55) MAPTHPGDCYP1A2F3CHRNB2
SCHEMBL28426524 0.70 HPGD (0.44) GAAMAPTHPGDCYP1A2F3
SCHEMBL2773405 0.69 ALDH1A1 (0.49) POLBALDH1A1HTT
SCHEMBL7946799 0.68 HPGD (0.42) GAAMAPTHPGDCYP1A2F3
SCHEMBL10739945 0.67 HPGD (0.44) GAAPOLBMAPTHPGDCYP1A2
SCHEMBL10734159 0.67 HPGD (0.44) GAAPOLBMAPTHPGDCYP1A2
SCHEMBL8541864 0.67 HPGD (0.44) GAAPOLBMAPTHPGDCYP1A2
SCHEMBL1756511 0.67 AKR1C3 (0.43) MAPTHPGDCYP1A2F3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343548-B1 METHOD AND APPARATUS FOR DELIVERY OF THERAPEUTIC FROM A DELIVERY MATRIX BOSTON SCIENT LTD (BB) 2012-03-28 EP disclosed
EP-1343548-A2 METHOD AND APPARATUS FOR DELIVERY OF THERAPEUTIC FROM A DELIVERY MATRIX Boston Scientific Limited (BB) 2003-09-17 EP disclosed
WO-2002043788-A2 METHOD AND APPARATUS FOR DELIVERY OF THERAPEUTIC FROM A DELIVERY MATRIX BOSTON SCIENTIFIC LIMITED (BB) 2002-06-06 WO disclosed