SCHEMBL5044155

SCHEMBL5044155

O=[N+]([O-])c1ccc(OCCC(O)CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
MAPT P10636 4/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
ACHE P22303 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL14515221 1.00 GAA (0.53) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL14515208 1.00 GAA (0.53) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL6685823 0.93 GAA (0.48) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL13701225 0.91 MAPT (0.60) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL11664062 0.86 MAPT (0.51) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL1496537 0.84 GAA (0.68) GAAMAPTALDH1A1DRD4
SCHEMBL4613807 0.84 MAPT (0.52) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4459850 0.83 MAPT (0.53) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL6138558 0.83 MAPT (0.57) GAAMAPTCRHBPCRHR2L3MBTL1
SCHEMBL11662420 0.82 CA1 (0.49) GAAMAPTCRHBPCRHR2L3MBTL1

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-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
US-7258972-B2 Process for generating the idiosyncratic catalytic imprint of a sample, the processing of said imprint and the systems for implementation thereof PROTEUS (FR) 2007-08-21 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
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US disclosed