SCHEMBL7707747

SCHEMBL7707747

CC(=O)OC[C@@H]1C2OC[C@@H](O[C@H]1n1ccc(=O)[nH]c1=O)[C@H]2OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RY12 Q9H244 7/20 0.39
P2RY2 P41231 4/20 0.39
DUT P33316 1/20 0.38
NT5E P21589 1/20 0.38
P2RY6 Q15077 3/20 0.36
P2RY4 P51582 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
SCHEMBL7699861 0.87 TK1 (0.45)
SCHEMBL4084059 0.77 B4GALT1 (0.35) TDP1MEN1KMT2AP2RY12P2RY2
SCHEMBL6880850 0.77 TAS1R3 (0.49) MEN1KMT2ANT5E
SCHEMBL6875722 0.76 TYMP (0.41) TDP1
SCHEMBL17198388 0.75 TDP1 (0.46) TDP1KMT2AP2RY12P2RY2P2RY6
SCHEMBL30428170 0.75 SLC28A1 (0.51) TDP1P2RY12P2RY2P2RY6P2RY4
SCHEMBL7624341 0.72 SLC28A1 (0.57) P2RY12P2RY2P2RY6P2RY4
SCHEMBL10431697 0.71 P2RY2 (0.47) TDP1P2RY12P2RY2P2RY6P2RY4
SCHEMBL7715642 0.71 SLC28A1 (0.50) P2RY12P2RY2P2RY6P2RY4
SCHEMBL7715645 0.71 SLC28A1 (0.47) P2RY12P2RY2NT5EP2RY6P2RY4

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
US-6403566-B1 CONFORMATIONALLY LOCKED; ANTIVIRAL, ANTICANCER, STABILITY TO CELLULAR NUCLEASES AND STRONG BINDING AFFINITY TO NUCLEIC ACID TARGETS. ICN PHARMACEUTICALS, INC. 2002-06-11 US disclosed