SCHEMBL26145170

SCHEMBL26145170

C/C=C\c1cccc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.45
LPL P06858 13/20 0.45
P4HB P07237 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
EGFR P00533 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
SCHEMBL15372954 0.94 LIPG (0.47) LIPGLPLP4HBIRAK4HDAC3
SCHEMBL806784 0.84 LIPG (0.60) LIPGLPLIRAK4EGFR
SCHEMBL4757491 0.82 LIPG (0.45) LIPGLPLP4HBIRAK4
SCHEMBL20023287 0.82 LIPG (0.58) LIPGLPLIRAK4EGFR
SCHEMBL31456342 0.82 LIPG (0.58) LIPGLPLIRAK4EGFR
SCHEMBL31456345 0.82 LIPG (0.58) LIPGLPLIRAK4EGFR
SCHEMBL15495620 0.81 LIPG (0.56) LIPGLPLIRAK4EGFR
SCHEMBL3362199 0.79 LIPG (0.70) LIPGLPLP4HBIRAK4
SCHEMBL29634298 0.79 LIPG (0.70) LIPGLPLP4HBIRAK4
SCHEMBL15197437 0.78 LIPG (0.73) LIPGLPLP4HBIRAK4

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-2023085171-A1 COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-05-19 WO disclosed