SCHEMBL5038535

SCHEMBL5038535

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CNR2 P34972 2/20 0.49
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ MGLL Q99685 1/20 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 0.99 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL2227658 0.99 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4471285 0.99 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4471290 0.93 DGKA (0.54) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4457525 0.87 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL6024458 0.85 ALDH1A1 (0.62) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL11664047 0.82 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515253 0.82 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515255 0.82 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515276 0.81 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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