SCHEMBL20467864

SCHEMBL20467864

CC1(C)OB(c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 14/20 0.48
▸ LPL P06858 13/20 0.48
▸ P4HB P07237 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL20984007 0.91 LIPG (0.54) LIPGLPLP4HBDGAT1BACE1
SCHEMBL17700992 0.88 LIPG (0.47) LIPGLPLP4HBDGAT1
SCHEMBL27342292 0.86 LIPG (0.51) LIPGLPLP4HBDGAT1KEAP1
SCHEMBL23504610 0.85 LIPG (0.49) LIPGLPLP4HBDGAT1KEAP1
SCHEMBL12925749 0.85 LIPG (0.46) LIPGLPL
SCHEMBL24434088 0.85 LIPG (0.46) LIPGLPL
SCHEMBL17709512 0.85 LIPG (0.44) LIPGLPLP4HB
SCHEMBL30215959 0.84 LIPG (0.52) LIPGLPLP4HBDGAT1KEAP1
SCHEMBL15714374 0.84 LIPG (0.52) LIPGLPLP4HBDGAT1KEAP1
SCHEMBL27401310 0.84 LIPG (0.55) LIPGLPLP4HBDGAT1KEAP1

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
EP-3577101-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-03 — — EP disclosed
WO-2018141706-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 — — WO disclosed
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