SCHEMBL7991168

SCHEMBL7991168

COc1ccc(C)cc1/C=C/CCC[C@H](C)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CYP1B1 Q16678 1/20 0.34
BACE1 P56817 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33

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
SCHEMBL7990986 1.00 PDE5A (0.38) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL8000069 1.00 PDE5A (0.38) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL7990165 0.96 PDE5A (0.37) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL7992739 0.96 PDE5A (0.37) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL8002228 0.92 ACHE (0.40) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL7999283 0.92 ACHE (0.40) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL7989766 0.85 L3MBTL4 (0.38) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL7998889 0.85 L3MBTL4 (0.38) PDE5AACHEL3MBTL4L3MBTL3TDP1
SCHEMBL7990251 0.83 ACHE (0.42) ACHEL3MBTL4L3MBTL3TDP1KDM4E
SCHEMBL7990256 0.83 ACHE (0.42) ACHEL3MBTL4L3MBTL3TDP1KDM4E

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-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed