SCHEMBL7589676

SCHEMBL7589676

O=C(O)c1ccc2c(c1)C(=O)OC21c2cc(Cl)c(O)c(Cl)c2Oc2c1cc(Cl)c(OC(=O)c1cc(Cl)c3c(c1Cl)C(=O)OC31c3cc(Cl)c(O)c(Cl)c3Oc3c1cc(Cl)c(O)c3Cl)c2Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.37
THRB P10828 3/20 0.35
RECQL P46063 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLB1 P16278 1/20 0.35
CTRC Q99895 1/20 0.35
USP2 O75604 1/20 0.32
CDK2 P24941 1/20 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
SCHEMBL6415903 0.88 SMAD3 (0.35) SMAD3THRBRECQLTDP1MEN1
SCHEMBL5094500 0.85 THRB (0.41) SMAD3THRBRECQLTDP1MEN1
SCHEMBL6415591 0.85 MEN1 (0.34) SMAD3THRBRECQLTDP1MEN1
SCHEMBL203192 0.83 GNG2 (0.43) SMAD3THRBRECQLTDP1MEN1
SCHEMBL1738599 0.80 MEN1 (0.33) THRBRECQLTDP1MEN1BLM
SCHEMBL204164 0.79 ALDH1A1 (0.48) SMAD3THRBRECQLTDP1MEN1
SCHEMBL3358989 0.77 MEN1 (0.33) THRBRECQLTDP1MEN1BLM
SCHEMBL202968 0.76 GNG2 (0.43) SMAD3THRBRECQLTDP1MEN1
SCHEMBL6823049 0.75 RECQL (0.43) SMAD3THRBRECQLTDP1MEN1
SCHEMBL18171688 0.74 ALDH1A1 (0.44) SMAD3THRBRECQLTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777749-B1 COUPLED AMPLIFICATION AND LIGATION METHOD PE CORP NY (US) 2002-10-30 EP claimed