SCHEMBL22947717

SCHEMBL22947717

CC1(C)OB(c2cc(-c3ccccc3)cc(-c3cccnc3-c3ccccc3)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.50
LPL P06858 8/20 0.50
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
FEN1 P39748 1/20 0.36
DGAT1 O75907 1/20 0.35
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
P4HB P07237 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL31463128 0.86 LIPG (0.40) LIPGLPLPTGS2PTGS1PDGFRB
SCHEMBL9960104 0.83 LIPG (0.54) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL31720865 0.82 LIPG (0.65) LIPGLPLPTGS2PDGFRBKDR
SCHEMBL19106675 0.82 LIPG (0.72) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL19106678 0.82 LIPG (0.72) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL868327 0.82 LIPG (0.72) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL17177947 0.80 LIPG (0.61) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL17726029 0.80 LIPG (0.76) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL17177868 0.80 LIPG (0.76) LIPGLPLPDGFRBKDRDGAT1
SCHEMBL20088883 0.80 LIPG (0.76) LIPGLPLPDGFRBKDRDGAT1

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
WO-2021020285-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2021-02-04 WO disclosed