SCHEMBL301941

SCHEMBL301941

C=CC(=O)OC1CC1.C=CC(=O)OCC1=CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
EPHX1 P07099 1/20 0.34
GSTP1 P09211 1/20 0.34
KMT2A Q03164 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 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
SCHEMBL301811 0.89 GSTP1 (0.40) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
Acrylic Acid SCHEMBL18169554 0.85 TAAR1 (0.43) NPC1RAB9ASMN1; SMN2EPHX1GSTP1
Acrylic Acid Methyl Ester SCHEMBL7196733 0.82 RAB9A (0.40) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
Acrylic Acid Methyl Ester SCHEMBL30093668 0.81 RAB9A (0.39) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
Methacrylic Acid SCHEMBL6379774 0.79 GSTP1 (0.36) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
SCHEMBL38666286 0.78 TAAR1 (0.36) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
SCHEMBL6379769 0.77 THRB (0.37) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
SCHEMBL4594759 0.76 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2GSTP1KMT2A
SCHEMBL85977 0.75 TSHR (0.46) NPC1RAB9ASMN1; SMN2KMT2ATAAR1
SCHEMBL17746687 0.73 EPHX1 (0.36) SMN1; SMN2EPHX1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4852214-B2 2012-01-11 JP claimed
EP-1299474-A2 COMPATIBLE BLEND SYSTEMS OF OXYGEN BARRIER POLYMERS AND OXYGEN SCAVENGING POLYMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2003-04-09 EP claimed
WO-2001090238-A2 COMPATIBLE BLEND SYSTEMS OF OXYGEN BARRIER POLYMERS AND OXYGEN SCAVENGING POLYMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2001-11-29 WO claimed
EP-2955129-A1 PACKAGING UNIT FOR OXYGEN-ABSORBENT MULTILAYER ARTICLE, AND STORAGE METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2015-12-16 EP disclosed
US-20150353251-A1 PACKAGED ARTICLE OF OXYGEN ABSORBING MULTILAYER BODY AND METHOD FOR STORING OXYGEN ABSORBING MULTILAYER BODY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-12-10 US disclosed
US-20050085577-A1 Oxygen scavenging packaging having improved sensory properties CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2005-04-21 US disclosed
WO-2005026020-A1 OXYGEN SCAVENGING PACKAGING CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2005-03-24 WO disclosed
EP-1325041-A2 SOLVENT EXTRACTION OF LOW MOLECULAR WEIGHT COMPONENTS FROM SOLID POLYMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2003-07-09 EP disclosed
US-6525123-B1 Food packaging with longer period of oxygen holdout CHEVRON PHILLIPS CHEMICAL COMPANY LP 2003-02-25 US disclosed
WO-2002028918-A2 BATCH PROCESS FOR SYNTHESIS OF POLYMERS COMPRISING PENDANT CYCLOALKENE GROUPS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2002-04-11 WO disclosed
WO-2002028916-A2 SOLVENT EXTRACTION OF LOW MOLECULAR WEIGHT COMPONENTS FROM SOLID POLYMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2002-04-11 WO disclosed