SCHEMBL7090878

SCHEMBL7090878

OCCC(OCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
GSR P00390 1/20 0.42
SLC6A4 P31645 3/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 4/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH1 P35367 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A2 P23975 3/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7960668 0.84 TRPA1 (0.46) TRPA1GSRSLC6A4LMNAL3MBTL1
SCHEMBL9862388 0.83 GSR (0.53) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL18982890 0.83 TRPA1 (0.47) TRPA1GSRSLC6A4HRH1LMNA
SCHEMBL19173724 0.82 TRPA1 (0.41) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL21280877 0.81 TRPA1 (0.43) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL28091302 0.80 TRPA1 (0.39) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL6033073 0.80 TDP1 (0.45) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL1832901 0.79 TRPA1 (0.48) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL1521135 0.79 IDO1 (0.49) TRPA1GSRSLC6A4CYP1A2CYP2D6
SCHEMBL11593971 0.79 LMNA (0.48) TRPA1GSRLMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653486-B2 Photopolymerizable; vinyl ether, photoinitiator, iodinium salt, and visible light sensitizer; dentistry, adhesives CURATORS OF THE UNIVERSITY OF MISSOURI 2003-11-25 US disclosed
US-20030119931-A1 Novel spiroorthocarbonates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-06-26 US disclosed
US-6458865-B2 FOR DENTAL RESTORATION MATERIAL CURATORS OF THE UNIVERSITY OF MISSOURI 2002-10-01 US disclosed
EP-1165627-A4 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES UNIV MISSOURI (US) 2002-03-20 EP disclosed
US-20020013380-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
EP-1165627-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2002-01-02 EP disclosed
WO-2000042080-A1 PHOTOPOLYMERIZABLE VINYL ETHER BASED MONOMERIC FORMULATIONS AND POLYMERIZABLE COMPOSITIONS WHICH MAY INCLUDE CERTAIN NOVEL SPIROORTHOCARBONATES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2000-07-20 WO disclosed