SCHEMBL4950825

SCHEMBL4950825

O=C1OCCCCC1=Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
DYRK1A Q13627 6/20 0.60
DYRK1B Q9Y463 6/20 0.60
CLK1 P49759 2/20 0.60
CYP1A2 P05177 2/20 0.59
F3 P13726 1/20 0.59
HTT P42858 1/20 0.58
KMT2A Q03164 2/20 0.56
MAPT P10636 4/20 0.55
NAMPT P43490 1/20 0.53
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
MIF P14174 1/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
DYRK2 Q92630 3/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL981479 0.95 ALDH1A1 (0.79) ALDH1A1DYRK1ADYRK1BCLK1CYP1A2
SCHEMBL14033885 0.88 DYRK1A (0.63) ALDH1A1DYRK1ADYRK1BCLK1CYP1A2
SCHEMBL3526528 0.87 ALDH1A1 (1.00) ALDH1A1DYRK1ADYRK1BCLK1CYP1A2
SCHEMBL981190 0.87 ALDH1A1 (1.00) ALDH1A1DYRK1ADYRK1BCLK1CYP1A2
SCHEMBL9427450 0.83 ALDH1A1 (0.62) ALDH1A1DYRK1ADYRK1BCLK1CYP1A2
SCHEMBL3263387 0.79 CYP1A2 (0.92) ALDH1A1CYP1A2F3HTTKMT2A
SCHEMBL3263383 0.79 CYP1A2 (0.92) ALDH1A1CYP1A2F3HTTKMT2A
SCHEMBL1130461 0.78 CYP1A2 (0.68) ALDH1A1CYP1A2F3HTTKMT2A
SCHEMBL1130462 0.78 CYP1A2 (0.68) ALDH1A1CYP1A2F3HTTKMT2A
SCHEMBL11789309 0.77 CYP1A2 (0.88) ALDH1A1CYP1A2F3HTTKMT2A

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-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