SCHEMBL5142280

SCHEMBL5142280

O=C(O)c1c(Cl)c(Cl)c2c(c1Cl)C(=O)OC21c2ccc(O)cc2Oc2cc(O)cc(Cl)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
BRCA1 P38398 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2C9 P11712 2/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
FTO Q9C0B1 9/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMAD3 P84022 2/20 0.44
BLM P54132 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
CYP2C19 P33261 1/20 0.44
PRMT1 Q99873 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
THRB P10828 2/20 0.37

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
SCHEMBL202609 0.96 ALDH1A1 (0.50) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL7095947 0.94 ALDH1A1 (0.50) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL6726589 0.87 ALDH1A1 (0.47) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL5148271 0.87 ALDH1A1 (0.59) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL6700615 0.86 HPGD (0.47) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL6884426 0.85 ALDH1A1 (0.45) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL534888 0.83 ALDH1A1 (0.52) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL77329 0.83 SMAD3 (0.47) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL1032008 0.83 ALDH1A1 (0.59) ALDH1A1HPGDBRCA1HSD17B10CYP2C9
SCHEMBL9074904 0.80 ALDH1A1 (0.45) ALDH1A1HPGDBRCA1HSD17B10CYP2C9

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-20150273469-A1 High Density Plate Filler APPLERA CORPORATION 2015-10-01 US disclosed
EP-1379698-A4 MOBILITY-MODIFIED NUCLEOBASE POLYMERS AND METHODS OF USING SAME APPLERA CORP (US) 2007-04-25 EP disclosed
EP-1379698-A1 MOBILITY-MODIFIED NUCLEOBASE POLYMERS AND METHODS OF USING SAME Applera Corporation (US) 2004-01-14 EP disclosed
EP-1320628-A2 PROCESS FOR ALLELE DISCRIMATION UTILIZING PRIMER EXTENSION Molecular Staging Inc. (US) 2003-06-25 EP disclosed
EP-1274837-A2 APPARATUS AND METHOD FOR SEPARATING AND PURIFYING POLYNUCLEOTIDES TRANSGENOMIC, Inc. (US) 2003-01-15 EP disclosed
WO-2002083954-A1 MOBILITY-MODIFIED NUCLEOBASE POLYMERS AND METHODS OF USING SAME APPLERA CORPORATION (US) 2002-10-24 WO disclosed
WO-2001081566-A2 APPARATUS AND METHOD FOR SEPARATING AND PURIFYING POLYNUCLEOTIDES TRANSGENOMIC, INC. (US) 2001-11-01 WO disclosed
WO-2001077390-A2 PROCESS FOR ALLELE DISCRIMATION UTILIZING PRIMER EXTENSION MOLECULAR STAGING, INC. (US) 2001-10-18 WO disclosed