SCHEMBL6830943

SCHEMBL6830943

CCC=CC[C@@H](C=C/C=C\CCCCCCCC(=O)O)OO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
FASN P49327 1/20 0.54
PPARG P37231 3/20 0.53
GPR132 Q9UNW8 1/20 0.53
ALDH1A1 P00352 3/20 0.52
F7 P08709 2/20 0.52
F3 P13726 2/20 0.52
MAPT P10636 2/20 0.52
CYP19A1 P11511 2/20 0.52
OXER1 Q8TDS5 2/20 0.52
KDM4E B2RXH2 2/20 0.52
FFAR1 O14842 1/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
PLA2G1B P04054 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
PTGS1 P23219 1/20 0.52

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
SCHEMBL29896669 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL2987763 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL4612000 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL4611998 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL5696154 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL2987766 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL7215589 1.00 MEN1 (0.69) MEN1KMT2AFASNPPARGGPR132
SCHEMBL17701362 0.96 MEN1 (0.65) MEN1KMT2AFASNPPARGGPR132
SCHEMBL30468654 0.95 MEN1 (0.65) MEN1KMT2AFASNPPARGGPR132
SCHEMBL23628381 0.93 ALDH1A1 (0.62) MEN1KMT2APPARGALDH1A1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409662-A1 ALLENE OXIDE SYNTHASE AND DIVINYL ETHER SYNTHASE FROM THE CYP74-ENZYME FAMILY ISOLATED OUT OF PHYSCOMITRELLA PATENS, THE NUCLEOTIDE SEQUENCES THAT CODE THESE SYNTHASES, AND METHOD FOR PRODUCING PATHOGEN-RESISTANT PLANTS BASF Plant Science GmbH (DE) 2004-04-21 EP disclosed
WO-2003006647-A1 ALLENE OXIDE SYNTHASE AND DIVINYL ETHER SYNTHASE FROM THE CYP74-ENZYME FAMILY ISOLATED OUT OF PHYSCOMITRELLA PATENS, THE NUCLEOTIDE SEQUENCES THAT CODE THESE SYNTHASES, AND METHOD FOR PRODUCING PATHOGEN-RESISTANT PLANTS BASF PLANT SCIENCE GMBH (DE) 2003-01-23 WO disclosed