SCHEMBL13658189

SCHEMBL13658189

CCOc1cccc(OCC)c1OC[N+](CC)(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
CHRM2 P08172 2/20 0.58
HIF1A Q16665 2/20 0.58
CHRM1 P11229 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
ACHE P22303 1/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL2068454 0.81 ALDH1A1 (0.54) LMNACHRM2HIF1ACHRM1ALOX15
Methyl Alcohol SCHEMBL28171303 0.77 ALDH1A1 (0.50) LMNACHRM2HIF1ACHRM1ALOX15
Potassium Ion SCHEMBL28222970 0.77 ALDH1A1 (0.50) LMNACHRM2HIF1ACHRM1ALOX15
SCHEMBL2525316 0.74 SMN1; SMN2 (0.63) LMNACHRM2HIF1ACHRM1ALOX15
Gallamine SCHEMBL12638600 0.73 CHRM2 (1.00) LMNACHRM2HIF1ACHRM1ALOX15
SCHEMBL19612335 0.73 ALDH1A1 (0.50) LMNACHRM2HIF1ACHRM1ALOX15
SCHEMBL10879176 0.72 ALDH1A1 (0.45) LMNACHRM2HIF1ACHRM1ALOX15
SCHEMBL28626660 0.72 ALDH1A1 (0.45) LMNACHRM2HIF1ACHRM1ALOX15
Gallamine SCHEMBL249090 0.72 CHRM2 (1.00) LMNACHRM2HIF1ACHRM1ALOX15
SCHEMBL1532034 0.69 ALDH1A1 (0.47) LMNACHRM2HIF1ACHRM1ALOX15

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
US-20090255986-A1 METHOD OF INITIATING ACTION IN COMPUTER SYSTEM VIA ANALOG-PRINTED SUBSTRATE SILVERBROOK RESEARCH PTY LTD 2009-10-15 US disclosed
US-7566363-B2 Alternative phthalocyanine dyes suitable for use in offset inks SILVERBROOK RESEARCH PTY LTD (AU) 2009-07-28 US disclosed
US-20090035533-A1 ALTERNATIVE PHTHALOCYANINE DYES SUITABLE FOR USE IN OFFSET INKS SILVERBROOK RESEARCH PTY LTD 2009-02-05 US disclosed