SCHEMBL2227658

SCHEMBL2227658

CCCCCCCCCC(=O)OCC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CNR2 P34972 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ DUSP3 P51452 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ BCL9 O00512 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.45
▸ P2RY10 O00398 2/20 0.44
▸ GPR174 Q9BXC1 2/20 0.44

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
SCHEMBL4460728 1.00 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL4471285 1.00 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL5038535 0.99 MAPT (0.54) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL4471290 0.94 DGKA (0.54) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL4457525 0.86 MAPT (0.56) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL6024458 0.86 ALDH1A1 (0.62) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL14515253 0.81 MAPT (0.55) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL14515255 0.81 MAPT (0.55) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL11664047 0.81 MAPT (0.55) MAPTL3MBTL1CRHBPCRHR2ALDH1A1
SCHEMBL14515276 0.80 MAPT (0.50) MAPTL3MBTL1CRHBPCRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595181-B2 From thermophilic microorganisms; active at high temperature PROTEUS S.A. (FR) 2009-09-29 — — US claimed
EP-1727909-B1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS EVONIK GOLDSCHMIDT GMBH (DE) 2008-12-10 — — EP claimed
US-20070264680-A1 Method and Test-Kit for the Detection and Quantification of Organisms PROTEUS S.A. (FR) 2007-11-15 — — US claimed
EP-1727909-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS Goldschmidt GmbH (DE) 2006-12-06 — — EP claimed
US-20060008887-A1 Production of carboxylic acid and carbonic acid derivatives using a thermostable esterase GOLDSCHMIDT AG (DE) 2006-01-12 — — US claimed
WO-2005093089-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS GOLDSCHMIDT GESELLSCHAFT MIT BESCHRÄNKTER HAFTUNG (DE) 2005-10-06 — — WO claimed
US-20120295793-A1 METHODS OF GENERATING MODIFIED POLYNUCLEOTIDE LIBRARIES AND METHODS OF USING THE SAME FOR DIRECTED PROTEIN EVOLUTION PROTEUS (FR) 2012-11-22 — — US disclosed
WO-2011089574-A2 METHODS OF GENERATING MODIFIED POLYNUCLEOTIDE LIBRARIES AND METHODS OF USING THE SAME FOR DIRECTED PROTEIN EVOLUTION PROTEUS (FR) 2011-07-28 — — WO disclosed
US-7595181-B2 From thermophilic microorganisms; active at high temperature PROTEUS S.A. (FR) 2009-09-29 — — US disclosed
EP-1727909-B1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS EVONIK GOLDSCHMIDT GMBH (DE) 2008-12-10 — — EP disclosed
US-20070264680-A1 Method and Test-Kit for the Detection and Quantification of Organisms PROTEUS S.A. (FR) 2007-11-15 — — US disclosed
EP-1727909-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS Goldschmidt GmbH (DE) 2006-12-06 — — EP disclosed
US-20060198859-A1 Compositions with a depot effect for controlling microorganisms GOLDSCHMIDT GMBH (DE) 2006-09-07 — — US disclosed
EP-1668124-A2 THERMOSTABLE HYDROLASE Goldschmidt GmbH (DE) 2006-06-14 — — EP disclosed
US-20060008887-A1 Production of carboxylic acid and carbonic acid derivatives using a thermostable esterase GOLDSCHMIDT AG (DE) 2006-01-12 — — US disclosed
WO-2005093089-A1 METHOD AND TEST-KIT FOR THE DETECTION AND QUANTIFICATION OF ORGANISMS GOLDSCHMIDT GESELLSCHAFT MIT BESCHRÄNKTER HAFTUNG (DE) 2005-10-06 — — WO disclosed
US-20050112644-A1 Thermostable hydrolase EVONIK GOLDSCHMIDT GMBH (DE) 2005-05-26 — — US disclosed
WO-2005040370-A2 THERMOSTABLE HYDROLASE GOLDSCHMIDT GMBH (DE) 2005-05-06 — — WO disclosed
Send feedback