SCHEMBL882013

SCHEMBL882013

C[C@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
RNASE1 P07998 1/20 0.34
P2RY2 P41231 1/20 0.33
P2RY4 P51582 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ABCB1 P08183 2/20 0.32
SLC43A1 O75387 1/20 0.32
GAA P10253 1/20 0.32
DUT P33316 2/20 0.32

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
SCHEMBL805029 1.00 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL13134791 1.00 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL14644648 1.00 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL12966927 0.85 POLB (0.38) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL800360 0.84 CYP3A4 (0.41) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL14929281 0.83 P2RY2 (0.40) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL23348448 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL14853784 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL13471844 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL1828639 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1

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-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed