SCHEMBL2873708

SCHEMBL2873708

COc1cccc(-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.62
ABCB1 P08183 4/20 0.60
HTR1A P08908 2/20 0.60
DRD2 P14416 2/20 0.60
C5AR1 P21730 1/20 0.60
PTGER1 P34995 6/20 0.56
PTGER4 P35408 5/20 0.56
PTGER3 P43115 5/20 0.56
PTGER2 P43116 5/20 0.56
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ERN1 O75460 1/20 0.52
FFAR1 O14842 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52

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
SCHEMBL2006949 0.84 MAOB (0.56) MAOBABCB1HTR1ADRD2C5AR1
SCHEMBL1026336 0.81 MAOB (0.54) MAOBABCB1HTR1ADRD2C5AR1
SCHEMBL10601942 0.81 C5AR1 (0.56) MAOBABCB1HTR1ADRD2C5AR1
SCHEMBL5849737 0.81 CYP1A1 (0.65) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL7914164 0.81 NPC1 (0.52) MAOBABCB1HTR1AC5AR1PTGER1
SCHEMBL201074 0.81 RXRA (0.70) MAOBHTR1ADRD2PTGER1PTGER4
SCHEMBL3849005 0.80 C5AR1 (0.55) MAOBABCB1HTR1ADRD2C5AR1
SCHEMBL13739157 0.79 RXRA (0.59) MAOBPTGER1PTGER4PTGER3PTGER2
SCHEMBL9414210 0.79 CYP1A1 (0.58) MAOBABCB1HTR1ALMNAMAPK1
SCHEMBL3789362 0.79 PTGER1 (0.59) MAOBPTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010079330-A1 INTERLAYER FORMULATION FOR FLAT FILMS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-07-15 WO disclosed
WO-2010079331-A1 INTERLAYER FORMULATION FOR FLAT FILMS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-07-15 WO disclosed