SCHEMBL1413951

SCHEMBL1413951

CCCCCC(CO)S(=O)(=O)[O-].CCCCCC(CO)S(=O)(=O)[O-].[Mg+2]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TP53 P04637 3/20 0.42
CA1 P00915 2/20 0.39
CYP2D6 P10635 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
CA2 P00918 1/20 0.37
FDPS P14324 4/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL1414118 0.96 LMNA (0.43) LMNATP53CA1CYP2D6SPHK1
SCHEMBL3259690 0.96 LMNA (0.43) LMNATP53CA1CYP2D6SPHK1
Potassium Ion SCHEMBL18077253 0.96 LMNA (0.43) LMNATP53CA1CYP2D6SPHK1
SCHEMBL7469371 0.94 LMNA (0.47) LMNATP53CA1CYP2D6SPHK1
SCHEMBL18986934 0.94 LMNA (0.47) LMNATP53CA1CYP2D6SPHK1
Potassium Ion SCHEMBL18062300 0.94 LMNA (0.42) LMNATP53CA1CYP2D6SPHK1
SCHEMBL8824223 0.94 LMNA (0.47) LMNATP53CA1CYP2D6SPHK1
Potassium Ion SCHEMBL8824224 0.94 LMNA (0.47) LMNATP53CA1CYP2D6SPHK1
SCHEMBL185844 0.94 LMNA (0.47) LMNATP53CA1CYP2D6SPHK1
SCHEMBL135873 0.94 LMNA (0.47) LMNATP53CA1CYP2D6SPHK1

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-2195405-B1 MILD ACYL ISETHIONATE TOILET BAR COMPOSITION UNILEVER PLC (GB) 2011-03-09 EP disclosed
EP-2195405-A1 MILD ACYL ISETHIONATE TOILET BAR COMPOSITION Unilever PLC (GB) 2010-06-16 EP disclosed
US-7737096-B2 Mild acyl isethionate toilet bar composition UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2010-06-15 US disclosed
WO-2009043716-A1 MILD ACYL ISETHIONATE TOILET BAR COMPOSITION UNILEVER PLC (GB) 2009-04-09 WO disclosed
US-20080058237-A1 Mild acyl isethionate toilet bar composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO 2008-03-06 US disclosed