SCHEMBL578576

SCHEMBL578576

O=C(Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12)NCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.64
CA9 Q16790 6/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 2/20 0.64
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
IL2 P60568 2/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH1B1 P30837 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
GLA P06280 3/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.47
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46

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
SCHEMBL8098515 0.91 CA12 (0.62) CA12CA9CA1CA2NPC1
SCHEMBL724524 0.91 CA12 (0.61) CA12CA9CA1CA2NPC1
SCHEMBL724528 0.91 CA12 (0.61) CA12CA9CA1CA2NPC1
SCHEMBL3366849 0.87 CA12 (0.71) CA12CA9CA1CA2NPC1
SCHEMBL3361018 0.86 CA12 (0.70) CA12CA9CA1CA2NPC1
SCHEMBL382083 0.83 CA12 (0.74) CA12CA9CA1CA2NPC1
SCHEMBL6228083 0.83 CA12 (0.74) CA12CA9CA1CA2NPC1
SCHEMBL18137941 0.79 CA12 (0.55) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL1526661 0.78 CA12 (1.00) CA12CA9CA1CA2NPC1
SCHEMBL755988 0.78 CA12 (1.00) CA12CA9CA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244813-B1 AMPLIFICATION BASED POLYMORPHISM DETECTION ABBOTT LAB (US) 2012-02-15 EP disclosed
US-20110171648-A1 METHOD OF DETECTING AND QUANTIFYING HEPATITIS C VIRUS ABBOTT LABORATORIES (US) 2011-07-14 US disclosed
EP-2311993-A2 Method of detecting and quantifying hepatitis C virus Abbott Laboratories (US) 2011-04-20 EP disclosed
EP-2163651-A1 Method of detecting and quantifying hepatitis C virus Abbott Laboratories (US) 2010-03-17 EP disclosed
EP-1540011-B1 METHOD OF DETECTING AND QUANTIFYING HEPATITIS C VIRUS ABBOTT LAB (US) 2010-01-06 EP disclosed
US-7250252-B2 Monitor preferential nucleotide sequences in sample; obtain nucleotide sequences, incubate with amplificaion mixture, incubate with priers, recover nucleotide sequences, detect target sequences ABBOTT LABORATORIES 2007-07-31 US disclosed
US-7211381-B1 β2 andrenergic polymorphism detection ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20050202417-A1 Method of detecting and quantifying hepatitis C virus ABBOTT LABORATORIES 2005-09-15 US disclosed
EP-1540011-A2 METHOD OF DETECTING AND QUANTIFYING HEPATITIS C VIRUS Abbott Laboratories (US) 2005-06-15 EP disclosed
EP-1440081-A4 BETA 2 ADRENERGIC POLYMORPHISM DETECTION ABBOTT LAB (US) 2005-02-16 EP disclosed
WO-2004011612-A2 METHOD OF DETECTING AND QUANTIFYING HEPATITIS C VIRUS ABBOTT LABORATORIES (US) 2004-02-05 WO disclosed
US-6593092-B2 Amplification; detection ABBOTT LABORATORIES 2003-07-15 US disclosed
WO-2003031641-A2 BETA 2 ADRENERGIC POLYMORPHISM DETECTION ABBOTT LABORATORIES (US) 2003-04-17 WO disclosed
EP-1244813-A2 AMPLIFICATION BASED POLYMORPHISM DETECTION ABBOTT LABORATORIES (US) 2002-10-02 EP disclosed
US-20020137069-A1 Beta 2 adrenergic polymorphism detection ABBOTT LABORATORIES 2002-09-26 US disclosed
US-20020102549-A1 Amplification based polymorphism detection ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2001049883-A2 AMPLIFICATION BASED POLYMORPHISM DETECTION ABBOTT LABORATORIES (US) 2001-07-12 WO disclosed
EP-1062361-A2 WATER-SOLUBLE COUMARIN FLUORESCENT ENZYME SUBSTRATES ABBOTT LABORATORIES (US) 2000-12-27 EP disclosed
US-5998593-A COUMARIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-12-07 US disclosed
WO-1999046402-A2 WATER-SOLUBLE COUMARIN FLUORESCENT ENZYME SUBSTRATES ABBOTT LABORATORIES (US) 1999-09-16 WO disclosed