SCHEMBL1551913

SCHEMBL1551913

Nc1c(OC(=O)O)cc(OC(=O)O)cc1OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
CYP19A1 P11511 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 2/20 0.31
RAB9A P51151 1/20 0.31
GLA P06280 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 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
SCHEMBL1552645 0.79 KDM4E (0.33) KDM4ECYP19A1BACE1
SCHEMBL5085382 0.79 KDM4E (0.37) KDM4EMAPTMAPK1BACE1MEN1
SCHEMBL7190643 0.79 PKM (0.39) KDM4EMAPTMAPK1BACE1ELANE
SCHEMBL8030911 0.79 KDM4E (0.37) KDM4EMAPTMAPK1BACE1ELANE
SCHEMBL6575964 0.77 KDM4E (0.40) KDM4EMAPTMAPK1BACE1MEN1
SCHEMBL322525 0.77 LMNA (0.40) KDM4ECYP19A1MAPTBACE1MEN1
SCHEMBL1551903 0.77 KDM4E (0.44) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL1551324 0.76 CA12 (0.41) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL1552646 0.76 CYP19A1 (0.43) KDM4ECYP19A1MAPTBACE1MEN1
SCHEMBL7759797 0.76 CYP19A1 (0.39) KDM4ECYP19A1MAPTBACE1MEN1

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