SCHEMBL7998889

SCHEMBL7998889

COC[C@@H](C)CCC/C=C/c1cc(C)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE5A O76074 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.35
MAPT P10636 7/20 0.35
L3MBTL1 Q9Y468 7/20 0.35
HPGD P15428 6/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 3/20 0.34

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
SCHEMBL7989766 1.00 L3MBTL4 (0.38) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7998464 0.93 ACHE (0.38) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7990258 0.93 ACHE (0.38) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL8000069 0.85 PDE5A (0.38) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7990986 0.85 PDE5A (0.38) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7991168 0.85 PDE5A (0.38) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7990557 0.85 ACHE (0.40) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7990406 0.85 ACHE (0.40) L3MBTL4L3MBTL3TDP1POLBKDM4E
SCHEMBL7990539 0.85 L3MBTL4 (0.42) L3MBTL4L3MBTL3TDP1POLBPDE5A
SCHEMBL8001694 0.85 L3MBTL4 (0.42) L3MBTL4L3MBTL3TDP1POLBKDM4E

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