SCHEMBL299242

SCHEMBL299242

COS(=O)(=O)O.NCCNCCO

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
CA12 O43570 5/20 0.40
CA6 P23280 5/20 0.40
CA7 P43166 5/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.40
CA5B Q9Y2D0 5/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA5A P35218 4/20 0.39
ALOX15 P16050 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CA3 P07451 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA1 P00915 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL29044695 0.92 CA12 (0.48) CA12CA6CA7CA9CA14
Trientine SCHEMBL29044705 0.90 CA12 (0.50) CA12CA6CA7CA9CA14
Diethanolamine SCHEMBL6649490 0.89 ALDH1A1 (0.37) CA12CA14MEN1RECQLKMT2A
Sulfuric Acid SCHEMBL701165 0.85 CA12 (0.50) CA12CA6CA7CA9CA14
Sulfuric Acid SCHEMBL17673120 0.85 CA12 (0.50) CA12CA6CA7CA9CA14
Sulfamate SCHEMBL29014373 0.83 CA6 (0.48) CA12CA6CA7CA9CA14
SCHEMBL27990209 0.81 ALDH1A1 (0.48) CA12CA7CA9CA14CA2
Monoethanolamine SCHEMBL540866 0.80 TSHR (0.44) CA6CA7CA9CA5BCA2
SCHEMBL7127237 0.79 CYP2C19 (0.37) CA12CA7CA9CA14MEN1
SCHEMBL9017462 0.79 APP (0.42) CA2ALDH1A1LMNACA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142631-B1 METHODS FOR TREATING FABRIC IN A DRYER DIAL CORP (US) 2012-03-14 EP disclosed
US-7456145-B2 Fabric treatment compositions comprising ester quats and fatty amides and methods for treating fabric in a dryer ECOLAB INC. (US) 2008-11-25 US disclosed
US-20070244029-A1 Fabric treatment compositions and methods for treating fabric in a dryer LENTSCH STEVEN E 2007-10-18 US disclosed
US-7250393-B2 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB INC. (US) 2007-07-31 US disclosed
US-20060183663-A1 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB INC. (US) 2006-08-17 US disclosed
US-7087572-B2 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB INC. (US) 2006-08-08 US disclosed
WO-2005026432-A1 FABRIC TREATMENT COMPOSITIONS AND METHODS FOR TRATING FABRIC IN A DRYER ECOLAB INC. (US) 2005-03-24 WO disclosed
US-20040167056-A1 Fabric treatment compositions and methods for treating fabric in a dryer ECOLAB USA INC. 2004-08-26 US disclosed
CN-1278717-A Hair care compositions comprising optical brighteners and hair conditioning agents PROCTER & GAMBLE (US) 2001-01-03 CN disclosed