SCHEMBL6653090

SCHEMBL6653090

CCCC(CCCC(CC)(CC)OC(N)=O)OC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 1/20 0.34
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
SCHEMBL29102263 0.80 LMNA (0.42) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL10935542 0.79 CTSK (0.49) LMNACTSKTSHR
SCHEMBL9728288 0.79 LMNA (0.45) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL17805629 0.79 CTSK (0.42) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL6652561 0.79 CTSK (0.39) CTSK
SCHEMBL6112007 0.78 CTSK (0.44) LMNACTSK
SCHEMBL11752280 0.76 CTSK (0.39) LMNAHSD17B10CTSKTSHRCYP3A4
SCHEMBL29789502 0.76 CTSK (0.42) LMNACTSK
SCHEMBL20835181 0.76 CTSK (0.42) LMNACTSK
SCHEMBL5357385 0.76 CTSK (0.39) LMNAHSD17B10CTSKTSHRCYP3A4

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-1252136-B1 DIETHYLOCTANDIOLDICARBAMATES AND DIETHYLOCTANDIOLDIALLOPHANATES, METHOD FOR THE PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2004-06-23 EP disclosed
EP-1252136-A1 DIETHYLOCTANDIOLDICARBAMATES AND DIETHYLOCTANDIOLDIALLOPHANATES, METHOD FOR THE PRODUCTION AND USE THEREOF BASF Coatings AG (DE) 2002-10-30 EP disclosed
WO-2001056978-A1 DIETHYLOCTANDIOLDICARBAMATES AND DIETHYLOCTANDIOLDIALLOPHANATES, METHOD FOR THE PRODUCTION AND USE THEREOF BASF COATINGS AG (DE) 2001-08-09 WO disclosed