SCHEMBL1551337

SCHEMBL1551337

Nc1c(OC(=O)O)ccc(OC(=O)O)c1OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1039198 0.85 MAPK1 (0.36) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL1552386 0.83 KMT2A (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4873463 0.79 MAPK1 (0.33) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL8723622 0.77 MAPK1 (0.32) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL1552057 0.77 MAPK1 (0.41) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL1728306 0.76 MAPK1 (0.47) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL1551324 0.76 CA12 (0.41) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL9354051 0.76 KDM4E (0.32) MAPK1KDM4E
Water SCHEMBL2704404 0.74 MAPK1 (0.46) MAPK1ALDH1A1KDM4EGAATSHR
SCHEMBL8746463 0.72 PIM1 (0.34) NCEH1ALDH1A1KDM4EGAATSHR

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
EP-1994133-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION Henkel AG & Co. KGaA (DE) 2008-11-26 EP claimed
WO-2007104392-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2007-09-20 WO claimed
EP-1994133-B1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
EP-1994133-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION Henkel AG & Co. KGaA (DE) 2008-11-26 EP disclosed
WO-2007104392-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2007-09-20 WO disclosed