SCHEMBL19590451

SCHEMBL19590451

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RY2 P41231 2/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RY12 Q9H244 1/20 0.38
ABCB1 P08183 8/20 0.38
CES2 O00748 1/20 0.38
RNASE1 P07998 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RY6 Q15077 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
SCHEMBL14853834 1.00 POLB (0.44) POLBMEN1USP2KMT2AP2RY2
SCHEMBL18574250 1.00 POLB (0.44) POLBMEN1USP2KMT2AP2RY2
SCHEMBL14946291 0.91 POLB (0.43) POLBMEN1USP2KMT2AP2RY2
SCHEMBL14929356 0.91 POLB (0.43) POLBMEN1USP2KMT2AP2RY2
SCHEMBL9893412 0.90 POLB (0.40) POLBMEN1USP2KMT2AP2RY2
SCHEMBL9893411 0.90 POLB (0.40) POLBMEN1USP2KMT2AP2RY2
SCHEMBL25401295 0.84 POLB (0.42) POLBMEN1USP2KMT2AP2RY2
SCHEMBL17860798 0.84 POLB (0.42) POLBMEN1USP2KMT2AP2RY2
SCHEMBL24371646 0.84 GAPDH (0.37) POLBMEN1USP2KMT2AABCB1
SCHEMBL13592886 0.82 POLB (0.41) POLBMEN1USP2KMT2AP2RY2

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-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 US disclosed