Benzene

Benzene

SCHEMBL5176579

Oc1ccc2c(c1)Oc1cc(O)ccc1C2O.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
DYRK1A Q13627 1/20 0.48
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
ALOX15 P16050 3/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 3/20 0.46
CASP1 P29466 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX12 P18054 2/20 0.46
BRCA1 P38398 2/20 0.46
STAT6 P42226 1/20 0.46
CASP7 P55210 1/20 0.46
HBB P68871 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ESR2 Q92731 3/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL21032529 0.96 MAOA (0.52) MAOAMAOBDYRK1AALDH1A1HSD17B10
SCHEMBL27450966 0.90 MAOA (0.70) MAOAMAOBDYRK1AALDH1A1HSD17B10
SCHEMBL2957574 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15CYP3A4HPGD
SCHEMBL19851151 0.79 MEN1 (0.64) MAOAMAOBALDH1A1HSD17B10ALOX15
Water SCHEMBL27862353 0.77 MEN1 (0.67) MAOAMAOBALDH1A1HSD17B10ALOX15
SCHEMBL9810672 0.77 MEN1 (0.44) ALDH1A1HSD17B10ALOX15CYP3A4HPGD
SCHEMBL6684310 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10ALOX15CYP3A4HPGD
SCHEMBL5176576 0.74 ESR2 (0.43) MAOBALDH1A1HSD17B10ALOX15CYP3A4
SCHEMBL7506342 0.73 ATM (0.53) ALDH1A1HSD17B10ALOX15CYP3A4HPGD
SCHEMBL31545095 0.73 MEN1 (0.48) MAOAMAOBALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055005-B1 QUANTITATIVE DETERMINATION OF NUCLEIC ACID AMPLIFICATION PRODUCTS DADE BEHRING INC (US) 2007-02-28 EP disclosed
US-7037654-B2 Methods and compositions for enhancing detection in determinations employing cleavable electrophoretic tag reagents ACLARA BIOSCIENCES, INC. (US) 2006-05-02 US disclosed
US-20040096825-A1 METHODS AND COMPOSITIONS FOR ENHANCING DETECTION IN DETERMINATIONS EMPLOYING CLEAVABLE ELECTROPHORETIC TAG REAGENTS ACLARA BIOSCIENCES, INC. 2004-05-20 US disclosed
US-20030175785-A1 Quantitative determination of nucleic acid amplification products SIEMENS HEALTHCARE DIAGNOSTICS INC. 2003-09-18 US disclosed
US-6573054-B2 Providing target polynucleotide, reference polynucleotides, oliognucleotide probes, subjecting to isothermal conditions for amplifying to form non- dissociative termolecular complexes; evaluation DADE BEHRING INC. 2003-06-03 US disclosed
WO-2003042658-A2 METHODS AND COMPOSITIONS FOR ENHANCING DETECTION IN DETERMINATIONS EMPLOYING CLEAVABLE ELECTROPHORETIC TAG REAGENTS ACLARA BIOSCIENCES, INC. (US) 2003-05-22 WO disclosed
US-20020182620-A1 Quantitative determination of nucleic acid amplification products SIEMENS HEALTHCARE DIAGNOSTICS INC. 2002-12-05 US disclosed
US-6365346-B1 SENSITIVE, SIMPLE METHOD USING SINGLE REACTION MEDIUM, ISOTHERMAL CONDITIONS, AND THREE OR MORE TYPES OF OLIGONUCLEOTIDE PROBES DADE BEHRING INC. 2002-04-02 US disclosed
WO-2001090399-A2 DETECTION OF MUTATIONS AND POLYMORPHISMS IN NUCLEIC ACIDS DADE BEHRING INC. (US) 2001-11-29 WO disclosed
US-6265220-B1 NON-IMMUNOCHEMICAL METHOD BY REACTING A COMPOUND COMPRISING CIS-1,4-DIOXO-2-BUTENE MOIETY OR HYDROLYTICALLY DERIVED PRECURSOR WITH HOMOCYSTEINE, THEN DETECTING PRODUCT WITHOUT SEPARATION FROM LIQUID ULLMAN EDWIN F (US) 2001-07-24 US disclosed
EP-1055005-A1 QUANTITATIVE DETERMINATION OF NUCLEIC ACID AMPLIFICATION PRODUCTS DADE BEHRING INC. (US) 2000-11-29 EP disclosed
EP-0988400-A1 METHODS FOR DETERMINING AMOUNTS OF NUCLEIC ACIDS DADE BEHRING INC. (US) 2000-03-29 EP disclosed
WO-1999042618-A1 QUANTITATIVE DETERMINATION OF NUCLEIC ACID AMPLIFICATION PRODUCTS DADE BEHRING INC. (US) 1999-08-26 WO disclosed
WO-1999042616-A1 METHODS FOR DETERMINING CONCENTRATIONS OF NUCLEIC ACIDS DADE BEHRING INC. (US) 1999-08-26 WO disclosed
WO-1999042615-A1 METHODS FOR DETERMINING AMOUNTS OF NUCLEIC ACIDS DADE BEHRING INC. (US) 1999-08-26 WO disclosed