SCHEMBL1613583

SCHEMBL1613583

O=C(O)C(=Cc1ccc2c(c1)OCO2)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
MTOR P42345 1/20 0.55
RAB9A P51151 1/20 0.55
VCP P55072 1/20 0.55
CYP3A4 P08684 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
PTPN1 P18031 1/20 0.50
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3650382 0.84 HSD17B10 (0.58) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL1245814 0.79 NPC1 (0.57) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL1245813 0.79 NPC1 (0.57) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL2113455 0.79 NPC1 (0.57) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL13904682 0.78 NPC1 (0.56) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL13904548 0.77 NPC1 (0.55) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL10063347 0.76 NPC1 (0.54) NPC1MTORRAB9AVCPCYP3A4
SCHEMBL7820555 0.76 CYP1A2 (0.63) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL2006250 0.76 CYP1A2 (0.63) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL6023661 0.74 NPC1 (0.51) NPC1MTORRAB9AVCPCYP3A4

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-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
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-8338143-B2 Enhanced production of paclitaxel and taxanes by cell cultures of Taxus species PHYTON HOLDINGS, LLC (US) 2012-12-25 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
EP-0954596-B1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON INC (US) 2006-01-04 EP disclosed
EP-1538214-A1 Enhanced production of taxanes by cell cultures of taxus species PHYTON, INC. (US) 2005-06-08 EP disclosed
EP-1398384-A1 Enhanced production of taxanes by cell cultures of taxus species Phyton Inc. (US) 2004-03-17 EP disclosed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed