SCHEMBL866121

SCHEMBL866121

C=CCCC(NC(C)=O)(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7024495 0.87 PKM (0.36) PKMTHRBHTTKDM4EMEN1
SCHEMBL10207139 0.81 PKM (0.58) PKMTHRBHTTKDM4EMEN1
SCHEMBL1067546 0.77 PKM (0.39) PKMTHRBHTTKDM4EMEN1
SCHEMBL4519743 0.75 PKM (0.35) PKMTHRBHTTKDM4EMEN1
SCHEMBL7438918 0.74 PKM (0.34) PKMTHRBHTTKDM4EMEN1
SCHEMBL866120 0.73 PKM (0.68) PKMTHRBHTTKDM4EMEN1
SCHEMBL4644388 0.72 RAB9A (0.38) PKMHTTKDM4EMEN1MAPT
SCHEMBL9853438 0.72 MAPT (0.38) KDM4EMEN1MAPTKMT2A
SCHEMBL16013113 0.72 S1PR1 (0.42) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL5036128 0.71 ALDH1A1 (0.42) HTTKDM4EMEN1MAPTKMT2A

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-20140255991-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-11 US disclosed
US-20120077228-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20100184193-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-07-22 US disclosed
US-7723070-B2 Adding an desired amino acid analog to a medium containing a host cell with a vector coding for aminoacyl-tRNA synthetase and a vector coding for the polypeptide of interest; and growing the cell to produce the modified polypeptide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-05-25 US disclosed
US-20080160609-A1 Dihydrofolate reductase; site directed mutagenesis; point mutations; auxotroph host cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-07-03 US disclosed
US-20080026422-A1 Adding an desired amino acid analog to a medium containing a host cell with a vector coding for aminoacyl-tRNA synthetase and a vector coding for the polypeptide of interest; and growing the cell to produce the modified polypeptide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-31 US disclosed
US-7198915-B2 Preparing modified/artificial polypeptides; mimetics CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-04-03 US disclosed
US-20040058415-A1 Preparing modified/artificial polypeptides; mimetics CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-03-25 US disclosed
US-6586207-B2 Host cell is a methionine auxotroph; methionine-tRNA synthetase overexpressed in presence of analogues and absence of methionine; protein is modified dihydrofolate reductase CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-07-01 US disclosed
US-20020042097-A1 Host cell is a methionine auxotroph; methionine-tRNA synthetase overexpressed in presence of analogues and absence of methionine; protein is modified dihydrofolate reductase CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-04-11 US disclosed