SCHEMBL7991255

SCHEMBL7991255

COCCCCC/C=C/c1cc(C)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
ACHE P22303 1/20 0.41
PDE5A O76074 1/20 0.40
L3MBTL1 Q9Y468 8/20 0.38
MAPT P10636 6/20 0.38
HPGD P15428 6/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7990539 0.98 L3MBTL4 (0.42) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL8001694 0.95 L3MBTL4 (0.42) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL8000126 0.89 ACHE (0.44) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL12680828 0.86 L3MBTL4 (0.38) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL13845935 0.84 CYP1A1 (0.36) L3MBTL1MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL7989766 0.83 L3MBTL4 (0.38) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL7998889 0.83 L3MBTL4 (0.38) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL13845936 0.82 CYP1A1 (0.36) L3MBTL1MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL7992739 0.81 PDE5A (0.37) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1
SCHEMBL7990165 0.81 PDE5A (0.37) L3MBTL4L3MBTL3ACHEPDE5AL3MBTL1

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-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
WO-2009079353-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-25 WO disclosed