SCHEMBL28529166

SCHEMBL28529166

C=CC(=O)CCC(COP(=O)(O)O)[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
PGD P52209 3/20 0.34
MPI P34949 1/20 0.34
ENPP2 Q13822 5/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
PLA2G4A P47712 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
SCHEMBL21293806 0.84 LPAR1 (0.33) PGK1PGK2PGDMPIENPP2
SCHEMBL28460459 0.81 TSHR (0.40) ENPP2LPAR1LPAR6LPAR4LPAR5
SCHEMBL20338139 0.81 TSHR (0.40) PGK1PGK2PGDMPIENPP2
SCHEMBL20378007 0.80 ZDHHC20 (0.36) PGK1PGK2PGDMPILPAR3
SCHEMBL28461024 0.79 PGK1 (0.32) PGK1PGK2PGDMPI
SCHEMBL6463900 0.78 MPI (0.34) PGK1PGK2PGDMPILPAR1
SCHEMBL28504236 0.76 TSHR (0.33) PGK1PGK2ENPP2LPAR3
SCHEMBL28639879 0.76 TSHR (0.33) PGK1PGK2ENPP2LPAR3PLA2G4A
SCHEMBL27589177 0.76 PGK1 (0.41) PGK1PGK2PGDMPIENPP2
SCHEMBL6469430 0.76 LPAR3 (0.35) PGK1PGK2MPILPAR1LPAR5

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
CN-112203679-A IL-6 antibodies and fusion constructs and conjugates thereof 科达制药股份有限公司 2021-01-08 CN disclosed