SCHEMBL1613615

SCHEMBL1613615

O=C(O)/C=C/c1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
MAPT P10636 3/20 0.48
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
AR P10275 1/20 0.42
MAOB P27338 2/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1426690 0.81 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2MAPTKDM4E
SCHEMBL774345 0.79 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTKDM4E
SCHEMBL4994296 0.79 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTKDM4E
SCHEMBL5238946 0.78 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2MAPTKDM4E
SCHEMBL5859861 0.77 KDM4E (0.50) MAPTKDM4ECYP1A2HSD17B10KMT2A
SCHEMBL5859863 0.77 KDM4E (0.50) MAPTKDM4ECYP1A2HSD17B10KMT2A
SCHEMBL29901773 0.77 TXNRD1 (0.64) TXNRD1TXNRD3TXNRD2MAPTKDM4E
SCHEMBL1613587 0.76 MAPT (0.55) MAPTKDM4ECYP1A2KMT2ATDP1
SCHEMBL12004153 0.76 MAPT (0.55) MAPTKDM4ECYP1A2KMT2ATDP1
SCHEMBL1613586 0.76 MAPT (0.55) MAPTKDM4ECYP1A2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130017582-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON HOLDINGS, LLC (US) 2013-01-17 US disclosed
US-20110086397-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON HOLDINGS, LLC (US) 2011-04-14 US disclosed
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US disclosed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US disclosed