SCHEMBL980397

SCHEMBL980397

O=C1OCC1=Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
MAOB P27338 9/20 0.61
CYP1A2 P05177 2/20 0.57
HTT P42858 1/20 0.57
F3 P13726 1/20 0.53
MIF P14174 4/20 0.51
APP P05067 1/20 0.51
MAOA P21397 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL981190 0.79 ALDH1A1 (1.00) ALDH1A1MAOBCYP1A2HTTF3
SCHEMBL3526528 0.79 ALDH1A1 (1.00) ALDH1A1MAOBCYP1A2HTTF3
SCHEMBL11504934 0.77 CYP1A2 (0.68) ALDH1A1MAOBCYP1A2HTTF3
SCHEMBL13074080 0.77 CYP1A2 (0.68) ALDH1A1MAOBCYP1A2HTTF3
SCHEMBL11504932 0.77 CYP1A2 (0.68) ALDH1A1MAOBCYP1A2HTTF3
SCHEMBL981479 0.76 ALDH1A1 (0.79) ALDH1A1CYP1A2HTTF3MIF
SCHEMBL979718 0.76 MAOB (1.00) ALDH1A1MAOBHTTMIFAPP
SCHEMBL29595747 0.76 MAOB (1.00) ALDH1A1MAOBHTTMIFAPP
SCHEMBL979717 0.76 MAOB (1.00) ALDH1A1MAOBHTTMIFAPP
SCHEMBL31179771 0.76 MAOB (1.00) ALDH1A1MAOBHTTMIFAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
CN-100563056-C Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2009-11-25 CN disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
CN-101203982-A Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2008-06-18 CN disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed