SCHEMBL27555643

SCHEMBL27555643

CCCOc1ccccc1COCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
ATM Q13315 3/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL27575303 0.91 CYP1A2 (0.53) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL23461615 0.86 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1BCHEACHE
SCHEMBL7954389 0.83 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1BCHEACHE
SCHEMBL27533310 0.83 HTT (0.48) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL28507964 0.83 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1BCHEACHE
SCHEMBL7954386 0.81 L3MBTL1 (0.49) L3MBTL1MAPTNPSR1BCHEACHE
SCHEMBL2435543 0.80 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ATMCYP1A2
SCHEMBL5420692 0.80 L3MBTL1 (0.71) L3MBTL1MAPTNPSR1BCHEACHE
SCHEMBL23461825 0.79 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL27555918 0.79 L3MBTL1 (0.42) L3MBTL1MAPTNPSR1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100389133-C Catalyst for olefin polymerization and its uses CHINA PETROLEUM & CHEMICAL (CN) 2008-05-21 CN disclosed
CN-1297526-C Asymmetric diether compound and its uses CHINA PETROLEUM & CHEMICAL (CN) 2007-01-31 CN disclosed
CN-1769255-A Asymmetric diether compound and its uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-10 CN disclosed
CN-1765941-A Catalyst for olefin polymerization and its uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-03 CN disclosed