SCHEMBL19861772

SCHEMBL19861772

C[C@@H](OC(CO)(CF)[C@@H](O)F)n1ccc(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DUT P33316 13/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20227095 0.91 DUT (0.38) DUTPOLBHSD17B10PKMCRBN
SCHEMBL19861771 0.89 DUT (0.34) DUTPOLBHSD17B10PKMCRBN
SCHEMBL20227039 0.89 DUT (0.34) DUTPOLBHSD17B10PKMCRBN
SCHEMBL20227083 0.83 PKM (0.34) DUTPOLBHSD17B10PKM
SCHEMBL19861753 0.83 PKM (0.34) DUTPOLBHSD17B10PKM
SCHEMBL13846337 0.81 POLB (0.33) DUTPOLBHSD17B10PKMCRBN
SCHEMBL22475071 0.81 DUT (0.37) DUTPOLBHSD17B10PKMCRBN
SCHEMBL19861755 0.80 POLB (0.33) DUTPOLBHSD17B10PKMCRBN
SCHEMBL20227076 0.80 POLB (0.33) DUTPOLBHSD17B10PKMCRBN
SCHEMBL20227078 0.80 POLB (0.33) DUTPOLBHSD17B10PKMCRBN

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-9890188-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-02-13 US disclosed