SCHEMBL6552632

SCHEMBL6552632

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](n2ccc(=O)[nH]c2=O)OC[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SLC28A1 O00337 1/20 0.41
SLC28A2 O43868 1/20 0.41
SLC29A1 Q99808 1/20 0.41
SLC28A3 Q9HAS3 1/20 0.41
LMNA P02545 1/20 0.40
P2RY6 Q15077 2/20 0.37
P2RY2 P41231 1/20 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
SCHEMBL8771949 1.00 POLB (0.50) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL17198380 0.82 TDP1 (0.45) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6552554 0.80 LMNA (0.46) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL8496110 0.80 LMNA (0.46) POLBGAACYP3A4CYP2C9CYP2C19
SCHEMBL29508578 0.78 TDP1 (0.38) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL25329700 0.78 TDP1 (0.48) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL24066396 0.76 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL6545745 0.76 SLC28A1 (0.62) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6226229 0.76 SLC28A1 (0.62) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16452370 0.76 SLC28A1 (0.52) TDP1SLC28A1SLC28A2SLC29A1SLC28A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788507-B1 L-PYRANOSYL NUCLEOSIDES GENENCOR INT (US) 2004-12-15 EP disclosed
US-5885972-A ANTICARCINOGENIC AGENT GENENCOR INTERNATIONAL, INC. (US) 1999-03-23 US disclosed
EP-0788507-A1 L-PYRANOSYL NUCLEOSIDES GENENCOR INTERNATIONAL, INC. (US) 1997-08-13 EP disclosed
WO-1996012728-A1 L-PYRANOSYL NUCLEOSIDES GENENCOR INTERNATIONAL, INC. (US) 1996-05-02 WO disclosed