SCHEMBL3330659

SCHEMBL3330659

CC(=O)CC[C@H](O)[C@H](O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
CA1 P00915 2/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30

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
SCHEMBL3123205 0.85 ALDH1A1 (0.45) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL16600318 0.81 GABRP (0.50) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL11693854 0.80 ALDH1A1 (0.45) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL19668472 0.75 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL14997347 0.74
SCHEMBL1224538 0.74
SCHEMBL8620882 0.74
SCHEMBL21310259 0.73 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2ACHE
SCHEMBL16703406 0.73 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2
SCHEMBL13232365 0.73 ALDH1A1 (0.38) ALDH1A1TDP1LMNASLC15A2

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
US-20100137232-A1 COMPOSITION COMPRISING A DIURETIC AND A CARDIAC GLYCOSIDE FOR THE TREATMENT OF DNA VIRAL INFECTIONS OF THE EYE HENDERSON MORLEY PLC (GB) 2010-06-03 US disclosed
US-20070219142-A1 Composition Comprising a Diuretic and/or Cardiac Glycosed for the Treatment of Dna Viral Infections of the Eye HENDERSON MORLEY PLC (GB) 2007-09-20 US disclosed
EP-1742638-A1 COMPOSITION COMPRISING A DIURETIC AND/OR CARDIAC GLYCOSIDE FOR THE TREATMENT OF DNA VIRAL INFECTIONS OF THE EYE Henderson Morley Plc (GB) 2007-01-17 EP disclosed
WO-2005102351-A1 COMPOSITION COMPRISING A DIURETIC AND/OR CARDIAC GLYCOSIDE FOR THE TREATMENT OF DNA VIRAL INFECTIONS OF THE EYE HENDERSON MORLEY PLC (GB) 2005-11-03 WO disclosed