SCHEMBL17075355

SCHEMBL17075355

CCC=CCOC(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PTGS1 P23219 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MIF P14174 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL17075354 1.00 PRKCA (0.37) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL1770626 0.85 PRKCA (0.36) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL1770629 0.85 PRKCA (0.36) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL28766201 0.82 F7 (0.41) PRKCAALDH1A1
SCHEMBL28588909 0.82 F7 (0.41) PRKCAALDH1A1
SCHEMBL8580784 0.81 ADORA3 (0.41) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL573191 0.81 ADORA3 (0.41) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL573192 0.81 ADORA3 (0.41) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL2036048 0.79 PRKCA (0.35) PRKCATDP1ALDH1A1ALOX15HSD17B10
SCHEMBL8961878 0.79 PTGS1 (0.40) PTGS1NR1I2PGRADORA3PTGS2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125117-A1 Enhanced Modular Electronic Cigarette Assembly with Disposable Elements Including Tanks VOODOO SCIENCE LLC (US) 2018-05-10 US disclosed
US-20170100738-A1 Metered Dosing Method and Mechanisms Thereof SCIENTIFIC HOLDINGS, LLC 2017-04-13 US disclosed
US-20160192708-A1 Enhanced Electronic Cigarette Assembly With Modular Disposable Elements Including Tanks DEMERITT KEVIN (US) 2016-07-07 US disclosed
WO-2016109701-A1 ENHANCED MODULAR ELECTRONIC CIGARETTE ASSEMBLY WITH DISPOSABLE ELEMENTS INCLUDING TANKS VOODOO SCIENCE LLC (US) 2016-07-07 WO disclosed
WO-2016061062-A1 METERED DOSING METHOD AND MECHANISMS THEREOF The Werc Shop, LLC (US) 2016-04-21 WO disclosed
WO-2015179002-A2 ELECTRONIC CIGARETTE ASSEMBLY WITH DISPOSABLE TANK VOODOO SCIENCE LLC (US) 2015-11-26 WO disclosed
US-20150257447-A1 Electronic Cigarette Assembly VOODOO SCIENCE LLC 2015-09-17 US disclosed
US-20150258288-A1 Breathable Fluid Delivery System Including Exchangeable Fluid Permeable Cartridge VOODOO SCIENCE LLC (US) 2015-09-17 US disclosed