SCHEMBL3267428

SCHEMBL3267428

COc1c(O)c(OS(=O)(=O)O)c2oc(=O)ccc2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 5/20 0.49
ALOX15 P16050 2/20 0.49
CA12 O43570 6/20 0.48
CA1 P00915 6/20 0.48
CA7 P43166 6/20 0.48
CA9 Q16790 6/20 0.48
CA13 Q8N1Q1 5/20 0.48
CA2 P00918 3/20 0.48
MAOA P21397 2/20 0.45
MCL1 Q07820 3/20 0.42
MAPT P10636 2/20 0.42
ABCB1 P08183 1/20 0.42
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL17047940 0.94 KDM4E (0.50) KDM4ECYP3A4HPGDCYP1A1CYP1A2
SCHEMBL3273868 0.81 KDM4E (0.54) KDM4ECYP3A4HPGDCYP1A1CYP1A2
SCHEMBL17047860 0.77 CA12 (0.56) KDM4ECYP3A4HPGDCYP1A1CYP1A2
SCHEMBL17047859 0.77 ALDH1A1 (0.70) KDM4ECYP3A4HPGDCYP1A1CYP1A2
SCHEMBL30152142 0.76 CA9 (0.66) KDM4ECYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL14667069 0.74 CA9 (0.50) KDM4ECYP3A4HPGDCYP1A1CYP1A2
SCHEMBL30152059 0.73 CA9 (0.75) KDM4ECYP3A4HPGDCYP1A2POLB
SCHEMBL4659348 0.72 GAA (0.57) KDM4ECYP3A4HPGDCYP1A2POLB
SCHEMBL13979740 0.71 CA9 (0.65) KDM4ECYP3A4HPGDCYP1A2ALDH1A1
SCHEMBL30585239 0.71 CA12 (0.54) KDM4ECYP3A4HPGDCYP1A1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982731-B1 Method for producing storage stable solutions of pelargonium extracts SCHWABE WILLMAR GMBH & CO (DE) 2010-06-16 EP claimed
WO-2008125240-A2 METHOD FOR PRODUCING STORAGE-STABLE SOLUTIONS FROM PELARGONIUM EXTRACTS DR. WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-10-23 WO claimed
EP-1982731-A1 Method for producing solutions of pelargonium extracts stable during storage Dr. Willmar Schwabe GmbH & Co. KG (DE) 2008-10-22 EP claimed
EP-1982731-B1 Method for producing storage stable solutions of pelargonium extracts SCHWABE WILLMAR GMBH & CO (DE) 2010-06-16 EP disclosed
WO-2008125240-A2 METHOD FOR PRODUCING STORAGE-STABLE SOLUTIONS FROM PELARGONIUM EXTRACTS DR. WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-10-23 WO disclosed
EP-1982731-A1 Method for producing solutions of pelargonium extracts stable during storage Dr. Willmar Schwabe GmbH & Co. KG (DE) 2008-10-22 EP disclosed