SCHEMBL1613772

SCHEMBL1613772

CCOC(=O)CCCOc1cccc(Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
DHFR P00374 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
NLRP3 Q96P20 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TNF P01375 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14052680 0.90 KMT2A (0.50) MRGPRX4HTTALDH1A1DHFRMEN1
SCHEMBL201784 0.85 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTNLRP3
SCHEMBL1613777 0.81 KDM4E (0.54) HTTMEN1KMT2AMAPTNLRP3
SCHEMBL29213722 0.80 TDP1 (0.64) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL2335458 0.80 NLRP3 (0.50) MRGPRX4HTTALDH1A1MAPTNLRP3
SCHEMBL11226935 0.79 L3MBTL1 (0.49) HTTALDH1A1NLRP3POLBCYP4F2
SCHEMBL8075361 0.79 CYP1A2 (0.50) MRGPRX4ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3268399 0.79 JAK2 (0.53) DHFRMAPTLMNACYP4F2CYP4A11
SCHEMBL27921658 0.79 LMNA (0.59) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL3267158 0.79 TDP1 (0.51) ALDH1A1DHFRLMNACYP4F2CYP4A11

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 12 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
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