SCHEMBL981312

SCHEMBL981312

CC1CC(=Cc2ccccc2)C(=O)O1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.69
DYRK1B Q9Y463 3/20 0.69
CLK1 P49759 2/20 0.69
PIK3CA P42336 1/20 0.56
DYRK2 Q92630 1/20 0.56
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 4/20 0.47
F3 P13726 1/20 0.46
HTT P42858 3/20 0.44
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPT P10636 4/20 0.41
MAOB P27338 3/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 2/20 0.41
MIF P14174 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AKT1 P31749 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
SCHEMBL979528 0.83 ALDH1A1 (0.53) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL6059814 0.82 DYRK1A (1.00) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL983907 0.78 CYP1A2 (0.49) DYRK1ADYRK1BCLK1CYP1A2ALDH1A1
SCHEMBL5584115 0.77 DYRK1A (0.51) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL11831810 0.77 DYRK2 (0.51) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL14571667 0.77 DYRK1A (0.51) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL9256875 0.76 DYRK1A (0.67) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL9256871 0.76 DYRK1A (0.67) DYRK1ADYRK1BCLK1PIK3CADYRK2
Water SCHEMBL250359 0.76 DYRK1A (0.41) DYRK1ADYRK1BCLK1PIK3CADYRK2
SCHEMBL16807421 0.74 MAPT (0.69) CYP1A2ALDH1A1F3HTTMAPT

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