SCHEMBL3742728

SCHEMBL3742728

CCC=CCC1OC1CC1OC1CCCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
CYP19A1 P11511 3/20 0.45
OXER1 Q8TDS5 2/20 0.45
PTGS1 P23219 2/20 0.45
PPARG P37231 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
RECQL P46063 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
FFAR1 O14842 1/20 0.45
NR1I2 O75469 1/20 0.45

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
SCHEMBL17547609 1.00 MAPT (0.50) MAPTALDH1A1F7F3CYP19A1
SCHEMBL6244558 0.96 MAPT (0.54) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3742740 0.91 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL5374521 0.91 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3742738 0.91 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL17547604 0.90 MAPT (0.54) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3746335 0.90 MAPT (0.54) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3746928 0.89 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL3746337 0.89 MAPT (0.60) MAPTALDH1A1F7F3CYP19A1
SCHEMBL13442938 0.89 CNR1 (0.41) MAPTALDH1A1F7F3CYP19A1

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
US-7834248-B2 comprising 12,13-epoxy-9-octadecenoic acid; generation of preferential coatings, resins, glues, plastics, surfactants and lubricants from renewable plant sources COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-16 US disclosed
US-7589253-B2 Fatty acid epoxygenase genes from plants and uses therefor in modifying fatty acid metabolism COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-09-15 US disclosed
CN-100482797-C Plant fatty acid epoxygenase genes and uses therefor COMMW SCIENT IND RES ORG (AU) 2009-04-29 CN disclosed
US-20070209092-A1 Plant seed comprising vernolic acid COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION, BASF PLANT SCIENCE, GMBH 2007-09-06 US disclosed
EP-0975765-B1 PLANT FATTY ACID EPOXYGENASE GENES AND USES THEREFOR COMMW SCIENT IND RES ORG (AU) 2006-10-11 EP disclosed
US-20020166144-A1 Fatty acid epoxygenase genes from plants and uses therefor in modifying fatty acid metabolism BASF PLANT SCIENCE GMBH (DE) 2002-11-07 US disclosed
EP-0975765-A4 PLANT FATTY ACID EPOXYGENASE GENES AND USES THEREFOR COMMW SCIENT IND RES ORG (AU) 2002-09-25 EP disclosed
US-6329518-B1 NUCLEIC ACID FROM CREPIS PLANT CODING FOR ENZYME THAT CATALYZES EPOXYGENATION OF CARBON DOUBLE BOND AT DELTA-12 POSITION OF FATTY ACID; EFFICIENT PRODUCTION OF COATINGS, GLUES, PLASTICS, SURFACTANTS AND LUBRICANTS BASF PLANT SCIENCE GMBH (DE) 2001-12-11 US disclosed
CN-1257541-A Plant fatty acid epoxidase and its use COMMW SCIENT IND RES ORG (AU) 2000-06-21 CN disclosed
EP-0975765-A1 PLANT FATTY ACID EPOXYGENASE GENES AND USES THEREFOR COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-02-02 EP disclosed
WO-1998046762-A1 PLANT FATTY ACID EPOXYGENASE GENES AND USES THEREFOR COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-10-22 WO disclosed