SCHEMBL22953906

SCHEMBL22953906

CC1(C)c2ccccc2-n2c3ccccc3c3cc(B4OC(C)(C)C(C)(C)O4)cc1c32

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.36
▸ LIPG Q9Y5X9 5/20 0.36
▸ JAK2 O60674 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL16587001 0.86 LIPG (0.46) LPLLIPGIDO1TDO2
SCHEMBL16596852 0.84 LIPG (0.38) LPLLIPGJAK2BTKPRMT5
SCHEMBL18001090 0.84 LIPG (0.38) LPLLIPGJAK2BTKPRMT5
SCHEMBL18624222 0.83 LIPG (0.38) LPLLIPGJAK2BTKPRMT5
SCHEMBL20287392 0.82 LPL (0.35) LPLLIPGJAK2BTKPRMT5
SCHEMBL20287398 0.82 LPL (0.35) LPLLIPGJAK2BTKPRMT5
SCHEMBL18000536 0.81 LPL (0.34) LPLLIPGJAK2BTKIRAK4
SCHEMBL12521464 0.80 KDM4E (0.42) NPSR1
SCHEMBL30254947 0.78 LPL (0.44) LPLLIPGPRMT5WDR77IRAK4
SCHEMBL10015058 0.78 LPL (0.44) LPLLIPGPRMT5WDR77IRAK4

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-2021020872-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2021-02-04 — — WO disclosed
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