SCHEMBL11954573

SCHEMBL11954573

c1ccc(Oc2ccc3c(c2)-c2ccc4c5ccc6c7c(-c8ccccc8)c8c(cc9c%10ccccc%10c%10cccc8c%109)c(-c8ccccc8)c7c7ccc(c8ccc-3c2c84)c5c76)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.35
▸ MAOA P21397 3/20 0.35
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ GSTP1 P09211 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30
▸ NAAA Q02083 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL10015409 0.87 GSTP1 (0.35) MAOBMAOANR1H2NR1H3GSTP1
SCHEMBL11954578 0.82 PTGS2 (0.31) —
SCHEMBL22727764 0.82 BACE1 (0.36) NAAAKDM4EMEN1CYP1A2CYP2D6
SCHEMBL12682357 0.80 HSD17B10 (0.33) MAOBMAOANR1H2NR1H3GSTP1
SCHEMBL15385296 0.79 — —
SCHEMBL12179545 0.78 FFAR4 (0.36) FFAR1FFAR4CYP1A2CYP2D6CYP2C19
SCHEMBL14805264 0.77 MAOB (0.43) MAOBMAOANR1H2NR1H3GSTP1
SCHEMBL15385295 0.77 IMPDH2 (0.35) KDM4EHSD17B10
SCHEMBL11954572 0.76 KIF11 (0.36) KDM4E
SCHEMBL14461122 0.74 CYP1A2 (0.33) MAOACYP1A2HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9240554-B2 Organic compound, organic electroluminescence element, and image display device CANON KABUSHIKI KAISHA (JP) 2016-01-19 — — US disclosed
US-9240554-B2 Organic compound, organic electroluminescence element, and image display device CANON KABUSHIKI KAISHA (JP) 2016-01-19 — — US disclosed
US-20130300638-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2013-11-14 — — US disclosed
US-20130300638-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2013-11-14 — — US disclosed
WO-2012098793-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-26 — — WO disclosed
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