SCHEMBL16624717

SCHEMBL16624717

C=C/C(=C\C)C(OCc1ccc2c(c1)OCc1cc(COCc3cccc(CO)c3)ccc1-2)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.35
ROCK1 Q13464 1/20 0.34
TBXAS1 P24557 1/20 0.33
PRF1 P14222 1/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CHRM3 P20309 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
SCHEMBL16624727 0.89 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL16627087 0.88 ROCK2 (0.35) ROCK2ROCK1TBXAS1POLBMAPT
SCHEMBL22540469 0.85 ROCK2 (0.35) ROCK2ROCK1MAOBMAOAPOLB
SCHEMBL16624701 0.83 ROCK2 (0.38) ROCK2ROCK1TBXAS1MAOBMAOA
SCHEMBL16624700 0.78 ROCK2 (0.41) ROCK2ROCK1MAOBMAOAPOLB
SCHEMBL16624617 0.76 MAOB (0.44) ROCK2ROCK1MAOBMAOAMAPT
SCHEMBL17954207 0.75 PRF1 (0.37) ROCK2ROCK1PRF1POLBMAPT
SCHEMBL16624702 0.72 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL16624806 0.72 ROCK2 (0.38) ROCK2ROCK1TBXAS1POLBMAPT
SCHEMBL20216036 0.70 ROCK2 (0.38) ROCK2ROCK1PRF1

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-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed