SCHEMBL20822014

SCHEMBL20822014

O=C(CO)NCCOCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
LMNA P02545 3/20 0.36
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL12313843 0.98 TSHR (0.46) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL20115945 0.91 MEN1 (0.45) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL12376985 0.86 TSHR (0.48) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL20110288 0.85 TSHR (0.42) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL4270081 0.84 TSHR (0.46) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL25737453 0.84 CA12 (0.39) MEN1KMT2ATSHRSMN1; SMN2CA2
SCHEMBL24115645 0.83 MEN1 (0.50) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL22368126 0.83 MEN1 (0.41) MEN1KMT2ASMN1; SMN2CA2CA12
SCHEMBL20822013 0.83 MEN1 (0.44) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL14948189 0.83 MEN1 (0.44) MEN1KMT2ATSHRMAPK1SMN1; SMN2

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
EP-3456745-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN Chugai Seiyaku Kabushiki Kaisha (JP) 2019-03-20 EP disclosed