SCHEMBL7473583

SCHEMBL7473583

O=C(O)OC1CCN(CCC=C2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CHRM3 P20309 6/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
HRH1 P35367 1/20 0.40
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7465106 0.88 CHRNB2 (0.44) CYP1A2CYP3A4CYP2D6NFKB1HRH1
SCHEMBL7477201 0.88 CHRNB2 (0.44) CYP1A2CYP3A4CYP2D6NFKB1HRH1
SCHEMBL7468711 0.85 SIGMAR1 (0.46) SIGMAR1HRH1ALDH1A1
Hydrochloric Acid SCHEMBL7467890 0.84 SLC6A1 (0.45) SIGMAR1HRH1ALDH1A1LMNA
SCHEMBL7603812 0.82 LTA4H (0.46) SIGMAR1HRH1
Hydrochloric Acid SCHEMBL8181412 0.81 LTA4H (0.46) SIGMAR1HRH1
SCHEMBL7463247 0.80 ALDH1A1 (0.51) MEN1ALDH1A1LMNAMAPTTHRB
SCHEMBL7472371 0.80 LTA4H (0.47) SIGMAR1HRH1
SCHEMBL7603305 0.79 LTA4H (0.45) SIGMAR1HRH1
Hydrochloric Acid SCHEMBL7464493 0.79 LTA4H (0.46) SIGMAR1HRH1

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
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP claimed