SCHEMBL6880683

SCHEMBL6880683

CCN(Br)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
RAB9A P51151 2/20 0.44
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL8895468 0.87 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL15479668 0.82 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL16665613 0.82 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL29017859 0.81 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL10107202 0.81 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL8101654 0.79 HCAR2 (0.49) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL8016043 0.79 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
Benzyl Dimethylcarbamate SCHEMBL5134244 0.78 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL8923839 0.78 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
Benzyl Dimethylcarbamate SCHEMBL14031385 0.78 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689616-B1 DETERMINING GLOMERULAR FILTRATION RATE IN HUMANS ROCHE DIAGNOSTICS GMBH (DE) 2004-02-10 US disclosed
EP-1040168-B1 NOVEL DYE-POLYSACCHARIDE-CONJUGATES AND THE UTILIZATION THEREOF AS A DIAGNOSTIC ROCHE DIAGNOSTICS GMBH (DE) 2002-11-06 EP disclosed
EP-0742903-B1 PIPERIDINE ANALOGS AND CONJUGATES OF PROCAINAMIDE AND NAPA ROCHE DIAGNOSTICS CORP (US) 2002-01-16 EP disclosed
EP-1040168-A1 NOVEL DYE-POLYSACCHARIDE-CONJUGATES AND THE UTILIZATION THEREOF AS A DIAGNOSTIC Roche Diagnostics GmbH (DE) 2000-10-04 EP disclosed
WO-1999031183-A1 NOVEL DYE-POLYSACCHARIDE-CONJUGATES AND THE UTILIZATION THEREOF AS A DIAGNOSTIC ROCHE DIAGNOSTICS GMBH (DE) 1999-06-24 WO disclosed
US-5525474-A IMMUNOASSAY; LINKING THE HAPTENIC DRUG VIA ITS MALEIMIDE MOIETY AND A SULFHYDRYL BRIDGE TO AN IMMUNOGENIC CARRIER TO STIMULATE ANTIBODIES BOEHRINGER MANNHEIM CORPORATION (US) 1996-06-11 US disclosed