SCHEMBL21323908

SCHEMBL21323908

CC(C)(O)C(C)(C)OBc1ccc2c(ccc3c4ccc(B5OC(C)(C)C(C)(C)O5)cc4ccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.35
LIPG Q9Y5X9 8/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SNCA P37840 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CSF1R P07333 1/20 0.32
HIF1A Q16665 1/20 0.31
FFAR1 O14842 1/20 0.31
EGFR P00533 1/20 0.31
DGAT1 O75907 1/20 0.31
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL12103836 0.93 LPL (0.41) LPLLIPGIDO1TDO2SNCA
SCHEMBL12103831 0.92 LPL (0.40) LPLLIPGPRMT5WDR77IDO1
SCHEMBL21323907 0.91 PRMT5 (0.36) LPLLIPGPRMT5WDR77IDO1
SCHEMBL18535936 0.90 PRMT5 (0.33) LPLLIPGPRMT5WDR77IDO1
SCHEMBL26045656 0.86 LPL (0.37) LPLLIPGPRMT5WDR77IDO1
SCHEMBL18829156 0.82 PRMT5 (0.36) PRMT5WDR77IDO1TDO2SNCA
SCHEMBL14854199 0.82 CA1 (0.43) LPLLIPGSNCACA1CA2
SCHEMBL17656205 0.82 IDO1 (0.30) IDO1TDO2
SCHEMBL18721600 0.81 LIPG (0.41) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL13331255 0.79 PRMT5 (0.36) LPLLIPGPRMT5WDR77IDO1

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-2200104-B1 Organic light-emitting device CANON KK (JP) 2019-09-04 EP disclosed