SCHEMBL6843543

SCHEMBL6843543

O=C(ON1C(=O)CCC1=O)c1cc(Cl)c2c(c1Cl)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
BRCA1 P38398 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
FTO Q9C0B1 8/20 0.40
RECQL P46063 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMAD3 P84022 2/20 0.40
BLM P54132 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT1 Q99873 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
THRB P10828 2/20 0.32

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
SCHEMBL25631 0.84 FTO (0.50) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL5665945 0.82 ALDH1A1 (0.58) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL29838734 0.82 SMAD3 (0.35) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL5489541 0.82 SMAD3 (0.35) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL29838717 0.82 SMAD3 (0.35) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL20339897 0.79 FTO (0.53) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL4593779 0.76 THRB (0.41) HPGDALDH1A1BRCA1HSD17B10RECQL
SCHEMBL29389278 0.76 THRB (0.41) HPGDALDH1A1BRCA1HSD17B10RECQL
SCHEMBL164316 0.75 FTO (0.56) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL29501272 0.75 FTO (0.56) HPGDALDH1A1BRCA1HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1697880-A Fluorogenic enzyme assay methods and compositions APPLERA CORP (US) 2005-11-16 CN disclosed
US-20040146959-A1 Fluorescent enzyme assay methods and compositions APPLIED BIOSYSTEMS, LLC 2004-07-29 US disclosed