SCHEMBL9109482

SCHEMBL9109482

COCC(=O)[C@]1(O)C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.39
DUT P33316 7/20 0.38
TYMP P19971 1/20 0.37
SLC6A11 P48066 4/20 0.37
SLC6A1 P30531 2/20 0.37
P2RY14 Q15391 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7776573 0.83 DUT (0.41) NT5EDUTTYMPSLC6A11SLC6A1
SCHEMBL9110792 0.79 SLC28A1 (0.41) NT5EDUTP2RY14
SCHEMBL13493930 0.77 DUT (0.42) NT5EDUTTYMPSLC6A11SLC6A1
SCHEMBL13444851 0.77 DUT (0.60) DUTTYMPP2RY14
SCHEMBL13463839 0.77 DUT (0.60) DUTTYMPP2RY14
SCHEMBL912656 0.77 DUT (0.60) DUTTYMPP2RY14
SCHEMBL912657 0.77 DUT (0.60) DUTTYMPP2RY14
SCHEMBL14403996 0.77 DUT (0.60) DUTTYMPP2RY14
SCHEMBL19841219 0.77 DUT (0.60) DUTTYMPP2RY14
SCHEMBL13575501 0.76 P2RY2 (0.54) NT5EDUTTYMPP2RY14CYP3A4

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
WO-1995015332-A1 TRANSMEMBRANOUS ACTIVE AGENT USED TO DISRUPT DNA BIOSYNTHESIS ZEPPEZAUER MICHAEL (DE) 1995-06-08 WO disclosed