SCHEMBL9178677

SCHEMBL9178677

CCCCCCCCCCCCNC(C(C)O)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
PPARA Q07869 2/20 0.41
EPHX1 P07099 9/20 0.41
TP53 P04637 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
XBP1 P17861 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL9176403 1.00 CA2 (0.43) CA2CA1PPARAEPHX1TP53
SCHEMBL9177001 1.00 CA2 (0.43) CA2CA1PPARAEPHX1TP53
SCHEMBL356352 1.00 CA2 (0.43) CA2CA1PPARAEPHX1TP53
SCHEMBL28141623 0.98 TP53 (0.41) CA2CA1PPARAEPHX1TP53
SCHEMBL28325408 0.87 CA2 (0.44) CA2CA1PPARAEPHX1TP53
SCHEMBL22551573 0.87 CA2 (0.44) CA2CA1PPARAEPHX1TP53
SCHEMBL3941155 0.85 TP53 (0.42) CA2CA1PPARAEPHX1TP53
SCHEMBL10779767 0.85 TP53 (0.42) CA2CA1PPARAEPHX1TP53
SCHEMBL15774303 0.79 CA2 (0.47) CA2CA1PPARAEPHX1TP53
SCHEMBL5007363 0.79 CA2 (0.47) CA2CA1PPARAEPHX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103170281-B The preparation method of two alkyl amino-2-hydroxypropyl sulfonate surfactant JIANGNAN UNIVERSITY (CN) 2016-03-30 CN disclosed
EP-0421383-B1 Detergent composition KAO CORP (JP) 1995-05-24 EP disclosed
US-5211882-A Inorganic stains KAO CORPORATION (JP) 1993-05-18 US disclosed
EP-0421383-A2 Detergent composition Kao Corporation (JP) 1991-04-10 EP disclosed