SCHEMBL15127361

SCHEMBL15127361

COB(OC)OCCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
LYPLA1 O75608 1/20 0.33
LYPLA2 O95372 1/20 0.33
HTR7 P34969 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL718688 0.86 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL18163782 0.70
SCHEMBL6057097 0.69
SCHEMBL174185 0.67
SCHEMBL21567809 0.67
SCHEMBL11230541 0.65
Iodide SCHEMBL5017287 0.65
Hydrochloric Acid SCHEMBL10570933 0.65
SCHEMBL5530320 0.65
SCHEMBL9190425 0.65 ADRB2 (0.39) CA2CA1ALDH1A1TSHR

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
US-8492709-B2 Method and apparatus for chemical and biological sample separation EXCELLIMS CORPORATION (US) 2013-07-23 US disclosed