SCHEMBL19916979

SCHEMBL19916979

CC1(C)OB(c2ccc3c(c2)Oc2ccc4ccccc4c2O3)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.48
LIPG Q9Y5X9 9/20 0.48
IRAK4 Q9NWZ3 1/20 0.36
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
P4HB P07237 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL17871063 0.84 LPL (0.56) LPLLIPGIRAK4P4HBROCK1
SCHEMBL47074 0.83 LPL (0.53) LPLLIPGIRAK4P4HBROCK1
SCHEMBL10074112 0.81 LPL (0.48) LPLLIPGIRAK4EGFRP4HB
SCHEMBL10074115 0.81 LPL (0.48) LPLLIPGIRAK4EGFRP4HB
SCHEMBL24149333 0.80 LPL (0.41) LPLLIPGIRAK4EGFRP4HB
SCHEMBL22337132 0.80 LPL (0.41) LPLLIPGIRAK4EGFRPRMT5
SCHEMBL22337017 0.79 LPL (0.41) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL29444278 0.78 LPL (0.59) LPLLIPGIRAK4EGFRCYP1A2
SCHEMBL2453344 0.78 LPL (0.59) LPLLIPGIRAK4EGFRCYP1A2
SCHEMBL2261034 0.77 LPL (0.58) LPLLIPGIRAK4CYP1A2PRMT5

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-2018038464-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-03-01 WO disclosed