SCHEMBL6816059

SCHEMBL6816059

COc1cc2c(cc1O)Oc1cc(O)c(OC)cc1C21OC(=O)c2c(Cl)cc(C(=O)O)c(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
BRCA1 P38398 2/20 0.36
ALOX15 P16050 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
THRB P10828 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
GLB1 P16278 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL5958386 0.92 SMAD3 (0.36) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL29461682 0.87 SMAD3 (0.40) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL235829 0.87 SMAD3 (0.40) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL500740 0.85 MAPT (0.33) SMAD3ALDH1A1HPGDHSD17B10BRCA1
Cyanide SCHEMBL6533545 0.84 SMAD3 (0.38) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL229962 0.84 ALDH1A1 (0.43) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL3983885 0.81 MAPT (0.39) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL6045753 0.80 ALDH1A1 (0.47) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL231207 0.80 ALDH1A1 (0.58) SMAD3ALDH1A1HPGDHSD17B10BRCA1
SCHEMBL1022908 0.78 SMAD3 (0.40) SMAD3ALDH1A1HPGDHSD17B10BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9110075-B2 Compositions for analyzing proteins MONOGRAM BIOSCIENCES, INC. (US) 2015-08-18 US claimed
EP-0978569-B1 METHOD OF DNA SEQUENCING RIKAGAKU KENKYUSHO (JP) 2004-09-22 EP disclosed
US-6482938-B1 Compounds having energy transfer function and method for DNA base sequencing by using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-19 US disclosed
US-6365350-B1 REACTING RIBONUCLEOTIDE 5'-TRIPHOSPHATES AND 3'-DEOXY NUCLEOTIDE TRIPHOSPHATES WITH RNA POLYMERASE AND DNA FRAGMENT CONTAINING A PROMOTER SEQUENCE FOR THE POLYMERASE, THEN SEPARATING THE TRANSCRIPTION PRODUCT AND SEQUENCING IT THE INSTITUTE OF PHYSICAL AND CHEMICAL RESEARCH (JP) 2002-04-02 US disclosed
US-6265569-B1 HAS ALKYL LINKER INCLUDING DOUBLE OR TRIPLE BOND WHICH ATTACHES FLUORESCENT MOLECULE TO NUCLEOTIDE; FOR TERMINATORS IN DNA SEQUENCING USING RNA POLYMERASES THE INSTITUTE OF PHYSICAL AND CHEMICAL RESEARCH (JP) 2001-07-24 US disclosed
EP-1046648-A1 3'-DEOXYRIBONUCLEOTIDE DERIVATIVES THE INSTITUTE OF PHYSICAL & CHEMICAL RESEARCH (JP) 2000-10-25 EP disclosed
EP-0978569-A1 METHOD OF DNA SEQUENCING THE INSTITUTE OF PHYSICAL & CHEMICAL RESEARCH (JP) 2000-02-09 EP disclosed
EP-0967219-A1 COMPOUNDS HAVING ENERGY TRANSFER FUNCTION AND METHOD FOR DNA BASE SEQUENCING BY USING THE SAME THE INSTITUTE OF PHYSICAL & CHEMICAL RESEARCH (JP) 1999-12-29 EP disclosed