SCHEMBL2552516

SCHEMBL2552516

CC(=O)[CH]C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
LMNA P02545 5/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL27975658 0.82 LMNA (0.50) HPGDLMNAMAPK1CYP2D6SRC
SCHEMBL21140376 0.79 TDP1 (0.48) HPGDLMNAMAPK1CYP2D6SRC
SCHEMBL5945426 0.78 LMNA (0.46) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL4341343 0.78 LMNA (0.46) LMNAMAPK1CYP2D6SRCCES2
SCHEMBL3433198 0.75 AKR1C3 (0.48) HPGDLMNAMAPK1CYP2D6SRC
SCHEMBL11721394 0.74 TRPA1 (0.42) HPGDLMNAMAPK1CYP2D6SRC
SCHEMBL4641824 0.73 TRPA1 (0.44) HPGDLMNAMAPK1CYP2D6GLA
SCHEMBL18943205 0.73 TRPA1 (0.44) HPGDLMNAMAPK1CYP2D6GLA
SCHEMBL3647763 0.72 HPGD (0.42) HPGDLMNAMAPK1CYP2D6SRC
SCHEMBL2121638 0.72 LMNA (0.46) LMNAMAPK1CYP2D6GLAKMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539155-A New peptide, process for preparation thereof and use thereof FUISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1985-09-03 US claimed
EP-2981542-A1 2',4'-FLUORO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX Pharmaceuticals, Inc. (US) 2016-02-10 EP disclosed
EP-2970357-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
EP-2970358-A1 3'-DEOXY NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
EP-2938624-A1 D-ALANINE ESTER OF SP-NUCLEOSIDE ANALOG IDENIX Pharmaceuticals, Inc. (US) 2015-11-04 EP disclosed
EP-2935304-A1 4'-FLUORO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX Pharmaceuticals, Inc. (US) 2015-10-28 EP disclosed
EP-2920195-A1 D-ALANINE ESTER OF RP-NUCLEOSIDE ANALOG IDENIX Pharmaceuticals, Inc. (US) 2015-09-23 EP disclosed
EP-2909222-A1 2',4'-BRIDGED NUCLEOSIDES FOR HCV INFECTION IDENIX Pharmaceuticals, Inc. (US) 2015-08-26 EP disclosed
EP-2909223-A1 DINUCLEOTIDE COMPOUNDS FOR HCV INFECTION IDENIX Pharmaceuticals, Inc. (US) 2015-08-26 EP disclosed
EP-2906579-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX Pharmaceuticals, Inc. (US) 2015-08-19 EP disclosed
WO-2008082601-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
EP-1536804-A4 2'-C-METHYL-3'-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS IDENIX CAYMAN LTD (KY) 2007-10-31 EP disclosed
EP-1809301-A2 PREPARATION OF 2'FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES Pharmasset, Inc. (US) 2007-07-25 EP disclosed
EP-1773856-A2 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES Pharmasset, Inc. (US) 2007-04-18 EP disclosed
WO-2006031725-A2 PREPARATION OF 2'­FLUORO-2'- ALKYL- SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2006-03-23 WO disclosed
WO-2006012440-A2 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2006-02-02 WO disclosed
EP-1536804-A2 2'-C-METHYL-3'-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS Idenix (Cayman) Limited (KY) 2005-06-08 EP disclosed
EP-1523489-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS Idenix (Cayman) Limited (KY) 2005-04-20 EP disclosed
WO-2004002999-A2 MODIFIED 2' AND 3' -NUCLEOSIDE PRODUGS FOR TREATING FLAVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed
WO-2004002422-A2 2’-C-METHYL-3’-O-L-VALINE ESTER RIBOFURANOSYL CYTIDINE FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 WO disclosed