SCHEMBL5176576

SCHEMBL5176576

Oc1ccc2c(c1)Oc1cc(O)ccc1C2Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.43
ESR1 P03372 3/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 4/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
BRCA1 P38398 2/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
STAT6 P42226 1/20 0.40
CASP7 P55210 1/20 0.40
HBB P68871 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL1128361 0.78 KCNA3 (0.57) MEN1KMT2ACYP2C9MAPTUSP2
Benzene SCHEMBL5176579 0.74 MAOA (0.54) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL19851151 0.74 MEN1 (0.64) ESR2ESR1ALDH1A1MEN1KMT2A
Water SCHEMBL27862353 0.72 MEN1 (0.67) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL7551854 0.72 CYP1A2 (0.60) ESR2ESR1MEN1KMT2ACYP2C9
SCHEMBL2957574 0.72 ALDH1A1 (0.46) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL27450966 0.70 MAOA (0.70) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL21032529 0.70 MAOA (0.52) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL11826766 0.69 KCNA3 (0.42) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL31545095 0.69 MEN1 (0.48) ESR2ESR1ALDH1A1MEN1KMT2A

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-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
WO-1999042618-A1 QUANTITATIVE DETERMINATION OF NUCLEIC ACID AMPLIFICATION PRODUCTS DADE BEHRING INC. (US) 1999-08-26 WO disclosed