SCHEMBL20114070

SCHEMBL20114070

CC1(C)OB(c2ccc3c(c2)Oc2ccccc2N3c2ccc3ccccc3c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.50
LIPG Q9Y5X9 7/20 0.50
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK1 Q13464 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTR3A P46098 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
P4HB P07237 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
SCHEMBL13623270 0.90 LPL (0.40) LPLLIPGMAPTSMN1; SMN2NPSR1
SCHEMBL13833029 0.86 LIPG (0.45) LPLLIPGMAPTSMN1; SMN2NPSR1
SCHEMBL3475430 0.85 P2RX4 (0.40) LPLLIPGMAPTSMN1; SMN2NPSR1
SCHEMBL20114066 0.84 LIPG (0.55) LPLLIPGIRAK4IDO1TDO2
SCHEMBL28693883 0.83 LPL (0.38) LPLLIPGMAPTIRAK4HSP90AA1
SCHEMBL21392268 0.82 HIF1A (0.37) LPLLIPGIRAK4ROCK1PRMT5
SCHEMBL20114074 0.82 LIPG (0.49) LPLLIPGIRAK4HSP90AA1IDO1
SCHEMBL22958676 0.82 LIPG (0.43) LPLLIPGMAPTSMN1; SMN2NPSR1
SCHEMBL18544780 0.82 LIPG (0.49) LPLLIPGIRAK4IDO1TDO2
SCHEMBL20114075 0.82 LPL (0.35) LPLLIPGMAPTSMN1; SMN2KMT2A

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed