SCHEMBL1613258

SCHEMBL1613258

C(=C/c1ccccc1)\Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.55
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
SIGMAR1 Q99720 3/20 0.37
NR1I2 O75469 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
SCHEMBL1613261 1.00 PNMT (0.55) PNMTPTGER4PTGER3PTGER2DRD2
SCHEMBL29241791 0.82 PNMT (0.49) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL17186646 0.81 PNMT (0.58) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL28426322 0.81 PNMT (0.58) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL10774995 0.81 PNMT (0.63) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL252161 0.78 PNMT (0.62) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL123076 0.78 PNMT (0.62) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL5140756 0.75 PNMT (0.51) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL4989855 0.75 PNMT (0.68) PNMTDRD2DRD4DRD3ALDH1A1
SCHEMBL5366733 0.75 PNMT (0.72) PNMTDRD2DRD4DRD3ALDH1A1

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 8 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-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