SCHEMBL28042527

SCHEMBL28042527

CC(C)OC(=O)OCOP(=O)(O)O.CCN(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.35
LPAR3 Q9UBY5 7/20 0.32
LPAR1 Q92633 5/20 0.32
ENPP2 Q13822 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPIP5K2 O43314 1/20 0.31
LPAR2 Q9HBW0 3/20 0.31
LPAR6 P43657 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
IDO1 P14902 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL15052830 0.90 FAP (0.35) FAPIDO1
SCHEMBL17459885 0.90 FAP (0.36) FAPLPAR3LPAR1ENPP2SMN1; SMN2
SCHEMBL18309147 0.80 FAP (0.35) FAPIDO1
SCHEMBL16343575 0.79 SCN5A (0.33)
SCHEMBL7643791 0.79 FAP (0.36) FAPIDO1
SCHEMBL17034310 0.78 FAP (0.36) FAPIDO1
SCHEMBL21248328 0.77 FAP (0.37) FAPIDO1
SCHEMBL25019683 0.77 FAP (0.34) FAPIDO1
SCHEMBL5615689 0.76 FAP (0.37) FAPIDO1
SCHEMBL17883369 0.76 FAP (0.35) FAPIDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515603-A Bicyclic and monocyclic nucleoside analogs for the treatment of hepatitis E 杨森制药公司 2022-12-23 CN disclosed
CN-105073766-A Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA INC (US) 2015-11-18 CN disclosed