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SCHEMBL24665490

SCHEMBL24665490

CCCCCCCCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(C)(CCCCCCCC)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(B%11OC(C)(C)C(C)(C)O%11)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 14/20 0.44
▸ LPL P06858 13/20 0.44
▸ DGAT1 O75907 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ PDK2 Q15119 3/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL22990010 0.90 LIPG (0.44) LIPGLPLDGAT1PDK2CA1
SCHEMBL22389178 0.90 LIPG (0.44) LIPGLPLDGAT1PDK2CA1
SCHEMBL26050350 0.90 LIPG (0.44) LIPGLPLDGAT1PDK2CA1
SCHEMBL24257889 0.90 LIPG (0.44) LIPGLPLDGAT1PDK2CA1
SCHEMBL26050388 0.90 LIPG (0.44) LIPGLPLDGAT1PDK2CA1
SCHEMBL20233453 0.89 LIPG (0.50) LIPGLPLDGAT1CA1CA2
SCHEMBL20233449 0.88 LPL (0.48) LIPGLPLPRMT5WDR77PDK2
SCHEMBL21031685 0.85 LIPG (0.42) LIPGLPLDGAT1PRMT5WDR77
SCHEMBL13103886 0.85 LIPG (0.42) LIPGLPLDGAT1PRMT5WDR77
SCHEMBL22990007 0.85 LIPG (0.42) LIPGLPLDGAT1PRMT5WDR77

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-2022229234-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-11-03 — — WO disclosed