SCHEMBL680755

SCHEMBL680755

C=CCOC(=O)c1ccc(OCC=C)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
TSHR P16473 3/20 0.55
MAPT P10636 2/20 0.55
PDE4B Q07343 1/20 0.52
HSD17B2 P37059 1/20 0.51
POLB P06746 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL31737297 1.00 KDM4E (0.71) KDM4ETSHRMAPTPDE4BHSD17B2
SCHEMBL6430392 0.93 MAPT (0.63) KDM4ETSHRMAPTPDE4BHSD17B2
SCHEMBL13690626 0.91 KDM4E (0.57) KDM4ETSHRMAPTPDE4BHSD17B2
SCHEMBL3547607 0.90 KDM4E (0.72) KDM4ETSHRMAPTPDE4BPOLB
SCHEMBL680754 0.87 HSD17B2 (0.68) KDM4ETSHRMAPTHSD17B2POLB
SCHEMBL9305217 0.85 KDM4E (0.74) KDM4ETSHRPDE4BPOLBMAPK1
SCHEMBL14907128 0.85 KDM4E (0.74) KDM4ETSHRMAPTPDE4BMAPK1
SCHEMBL31737057 0.85 KDM4E (0.74) KDM4ETSHRMAPTPDE4BMAPK1
SCHEMBL29537569 0.85 KDM4E (0.74) KDM4ETSHRPDE4BPOLBMAPK1
SCHEMBL1067955 0.84 KDM4E (0.72) KDM4ETSHRPDE4BPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288360-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2011-11-24 US claimed
WO-2009023731-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2009-02-19 WO claimed
US-20110288360-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2011-11-24 US disclosed
WO-2009079408-A1 BIOLOGICALLY ACTIVE POLYMERIC COMPOUNDS, THEIR METHODS OF PRODUCTION AND USES THEREOF SUNREZ CORPORATION (US) 2009-06-25 WO disclosed
WO-2009023731-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2009-02-19 WO disclosed
US-4362510-A ESTER OF VANILLIC ACID, METAL OXIDE OR HYDROXIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-12-07 US disclosed