SCHEMBL17636196

SCHEMBL17636196

CC(C)CCC(C)(C#CC(C)(CCC(C)C)OC(N)=O)OC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17636430 0.89 TSHR (0.31) LMNACHRNB2CHRNA4TSHRCYP3A4
SCHEMBL18220744 0.88
SCHEMBL8238473 0.79 LMNA (0.34) LMNAHSD17B10GAACHRNB2CHRNB4
SCHEMBL20052127 0.76 CHRNB2 (0.37) LMNAGAACHRNB2CHRNB4CHRNA3
SCHEMBL9102210 0.76 LMNA (0.36) LMNAHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL27537712 0.73 BLM (0.34) LMNAHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL27716789 0.70 ACACB (0.34) LMNAHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL19068425 0.70
SCHEMBL13126734 0.69 CA1 (0.37) CYP3A4TDP1
SCHEMBL29416854 0.68

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-3000856-B1 HOT MELT INKS MARKEM IMAJE CORP (US) 2020-04-22 EP disclosed
EP-3000852-B1 NOVEL COMPOUNDS MARKEM IMAJE CORP (US) 2016-11-09 EP disclosed
EP-3000856-A1 HOT MELT INKS Markem-Imaje Corporation (US) 2016-03-30 EP disclosed
EP-3000852-A1 NOVEL COMPOUNDS Markem-Imaje Corporation (US) 2016-03-30 EP disclosed