SCHEMBL1614082

SCHEMBL1614082

COc1ccc2c(CC(=O)O)noc2c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 4/20 0.39
MAPK1 P28482 1/20 0.39
MIF P14174 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NCOA1 Q15788 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
Hydrochloric Acid SCHEMBL11799951 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL31444048 0.76 SMN1; SMN2 (0.53) SMN1; SMN2MAPTAKR1B1
SCHEMBL8367202 0.75 PTGS2 (0.44) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL9411403 0.74 ACHE (0.40) ALDH1A1KDM4EMEN1KMT2ACYP2C19
SCHEMBL31444179 0.73 SMN1; SMN2 (0.67) SMN1; SMN2MAPTALDH1A1KDM4EAKR1B1
SCHEMBL9411386 0.71 ACHE (0.51) MEN1KMT2ACYP2C19
SCHEMBL17748268 0.71 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL15158081 0.70 MAPT (0.56) SMN1; SMN2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL9411304 0.70 ACHE (0.45) MEN1KMT2ACYP2C19
SCHEMBL14020934 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US claimed
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