SCHEMBL26045656

SCHEMBL26045656

CC(C)(O)C(C)(C)OBc1ccc2c3ccccc3c3ccc(B4OC(C)(C)C(C)(C)O4)cc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.37
LIPG Q9Y5X9 6/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
EGFR P00533 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CSF1R P07333 1/20 0.32
P4HB P07237 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HIF1A Q16665 1/20 0.31
ROCK1 Q13464 1/20 0.31
FFAR1 O14842 1/20 0.31
SNCA P37840 1/20 0.31
DGAT1 O75907 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL21323907 0.91 PRMT5 (0.36) LPLLIPGPRMT5WDR77EGFR
SCHEMBL18829156 0.87 PRMT5 (0.36) PRMT5WDR77EGFRCA1CA2
SCHEMBL21323908 0.86 LPL (0.35) LPLLIPGPRMT5WDR77EGFR
SCHEMBL18721600 0.84 LIPG (0.41) LPLLIPGPRMT5WDR77EGFR
SCHEMBL20983889 0.83
SCHEMBL17548782 0.83
SCHEMBL17548646 0.83
SCHEMBL12103836 0.83 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL14854199 0.82 CA1 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL12103831 0.82 LPL (0.40) LPLLIPGPRMT5WDR77CA1

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-3823958-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed