SCHEMBL6514488

SCHEMBL6514488

O=[N+]([O-])c1ccc(O[C@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PMP22 Q01453 1/20 0.47
TYR P14679 3/20 0.47
HPSE Q9Y251 1/20 0.45
AMY2A P04746 1/20 0.41

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
SCHEMBL284676 1.00 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL9806246 0.98 TYR (0.48) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL6873455 0.93 CYP1A2 (0.46) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL8313911 0.92 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL5831825 0.92 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL8315726 0.92 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL9563939 0.92 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL7958087 0.90 TYR (0.57) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL5831830 0.90 TYR (0.57) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL10653843 0.90 TYR (0.57) CYP1A2NFKB1THPOALDH1A1PMP22

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050089890-A1 Multimolecular devices and drug delivery systems CUBICCIOTTI ROGER S (US) 2005-04-28 US disclosed
US-6818415-B2 Sodium activation of amylase ABAXIS, INC. 2004-11-16 US disclosed
US-6762025-B2 SYNTHETIC NUCLEOTIDE SEQUENCES; GENERATE SEQUENCES, INCUBATE WITH PREFERENTIAL NUCLEOTIDE SEQUENCES, MONITOR SAMPLES FOR BINDING MOLECULAR MACHINES, INC. 2004-07-13 US disclosed
US-20030022264-A1 Sodium activation of amylase ABAXIS, INC. 2003-01-30 US disclosed
US-20020034757-A1 Single-molecule selection methods and compositions therefrom CUBICCIOTTI ROGER S (US) 2002-03-21 US disclosed
US-6287765-B1 SYNTHETIC HETEROPOLYMERS, OLIGONUCLEOTIDE MOLECULE CAPABLE OF SPECIFICALLY BINDING TO NONOLIGONUCLEOTIDE; TEMPLATE-DIRECTED MOLECULAR ASSEMBLY AND DEVICE INTEGRATION; DRUG DELIVERY SYSTEMS, SENSORS, SWITCHES, TRANSDUCERS MOLECULAR MACHINES, INC. 2001-09-11 US disclosed
EP-0874894-B1 A PERACID BASED DISHWASHING DETERGENT COMPOSITION UNILEVER NV (NL) 2001-05-23 EP disclosed
EP-0736103-A4 NUCLEOTIDE-DIRECTED ASSEMBLY OF BIMOLECULAR AND MULTIMOLECULAR DRUGS AND DEVICES CUBICCIOTTI ROGER S (US) 1999-07-28 EP disclosed
US-5859333-A INCORPORATING INTO GENOME OF PLANT A DONOR GENE ENCODING A STARCH PRIMER FOR ALTERED ABILITY TO SYNTHESIZE STARCH ZENECA LIMITED (GB) 1999-01-12 US disclosed
EP-0874894-A1 A PERACID BASED DISHWASHING DETERGENT COMPOSITION UNILEVER N.V. (NL) 1998-11-04 EP disclosed
US-5741767-A INCLUDES AN AMYLASE ENZYME LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-04-21 US disclosed
US-5739305-A FOR CONTROLLED PLACEMENT OF TWO OR MORE SELECTED MOLECULES IN APPROPRIATE SPATIAL PROXIMITY TO PRODUCE COOPERATIVE MOLECULAR ASSEMBLIES MOLECULAR MACHINES, INC. 1998-04-14 US disclosed
US-5656739-A MACROMOLECLAR COMPLEXES MOLECULAR MACHINES, INC. 1997-08-12 US disclosed
WO-1997018287-A1 A PERACID BASED DISHWASHING DETERGENT COMPOSITION UNILEVER N.V. (NL) 1997-05-22 WO disclosed
EP-0736103-A1 NUCLEOTIDE-DIRECTED ASSEMBLY OF BIMOLECULAR AND MULTIMOLECULAR DRUGS AND DEVICES Cubicciotti, Roger S. (US) 1996-10-09 EP disclosed
WO-1995016788-A1 NUCLEOTIDE-DIRECTED ASSEMBLY OF BIMOLECULAR AND MULTIMOLECULAR DRUGS AND DEVICES CUBICCIOTTI ROGER S (US) 1995-06-22 WO disclosed
US-5229270-A Quantitative analysis for chloride by forming a chelate with calcium ion, deactivated alpha-amylase, a calcium chelate and an activity measuring substance KANTO KAGAKU KABUSHIKI KAISHA (JP) 1993-07-20 US disclosed
EP-0275398-B1 REAGENT FOR THE DETERMINATION OF CHLORIDE IONS Kanto Kagaku Kabushiki Kaisha (JP) 1992-08-05 EP disclosed
EP-0275398-A2 Reagent for the determination of chloride ions Kanto Kagaku Kabushiki Kaisha (JP) 1988-07-27 EP disclosed
US-4683198-A DOES NOT REQUIRE NAD OR NADP TOYO JOZO KABUSHIKI KAISHA (JP) 1987-07-28 US disclosed