SCHEMBL5508223

SCHEMBL5508223

O=C(O)c1cc2c(cc1O)Oc1cc(O)c(C(=O)O)cc1C21OC(=O)c2c1cc(C(=O)O)c(Cl)c2Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
BRCA1 P38398 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 2/20 0.36
BLM P54132 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
GLB1 P16278 1/20 0.36

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
SCHEMBL500740 0.88 MAPT (0.33) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL37698 0.85 HPGD (0.54) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL3472516 0.78 THRB (0.44) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL7575984 0.78 MAPT (0.60) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL1022908 0.77 SMAD3 (0.40) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL235829 0.77 SMAD3 (0.40) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL29461682 0.77 SMAD3 (0.40) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL1468956 0.76 ALDH1A1 (0.40) SMAD3ALDH1A1HPGDBRCA1HSD17B10
SCHEMBL9440721 0.75 ALDH1A1 (0.38) SMAD3ALDH1A1HPGDBRCA1HSD17B10
Cyanide SCHEMBL6533545 0.75 SMAD3 (0.38) SMAD3ALDH1A1HPGDBRCA1HSD17B10

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
EP-1802727-A1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF Applera Corporation (US) 2007-07-04 EP disclosed
WO-2006034036-A1 FLUORESCENT DYE COMPOUNDS, CONJUGATES AND USES THEREOF APPLERA CORPORATION (US) 2006-03-30 WO disclosed