SCHEMBL5180718

SCHEMBL5180718

CCCOC(=O)c1cc(O)c(O)c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC28A3 Q9HAS3 4/20 0.55
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.48
XDH P47989 1/20 0.47
PTPN1 P18031 1/20 0.46
ESR1 P03372 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5181210 1.00 SLC28A3 (0.55) SLC28A3TDP1POLBXDHPTPN1
SCHEMBL4371490 0.97 SLC28A3 (0.55) SLC28A3TDP1POLBXDHPTPN1
SCHEMBL4366964 0.97 SLC28A3 (0.55) SLC28A3TDP1POLBXDHPTPN1
SCHEMBL5193197 0.91 TDP1 (0.55) SLC28A3TDP1POLBXDHCA12
SCHEMBL5180485 0.90 ESR1 (0.50) SLC28A3TDP1XDHPTPN1ESR1
SCHEMBL4368198 0.87 SLC28A3 (0.54) SLC28A3TDP1POLBXDH
SCHEMBL4368675 0.87 SLC28A3 (0.54) SLC28A3TDP1POLBXDH
SCHEMBL5181117 0.86 SLC28A3 (0.56) SLC28A3TDP1
SCHEMBL4378546 0.82 SLC28A3 (0.56) SLC28A3POLB
SCHEMBL13576873 0.82 USP2 (0.60) SLC28A3TDP1PTPN1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282520-B2 External preparation LION CORPORATION (JP) 2007-10-16 US disclosed
EP-1437119-B1 EXTERNAL PREPARATION CONTAIINING GALLIC ACID DERIVATIVES LION CORP (JP) 2007-08-15 EP disclosed
CN-1250194-C External preparation LION CORP (JP) 2006-04-12 CN disclosed
CN-1568173-A External preparation LION CORP (JP) 2005-01-19 CN disclosed
EP-1437119-A1 EXTERNAL PREPARATION Lion Corporation (JP) 2004-07-14 EP disclosed