SCHEMBL28801398

SCHEMBL28801398

CCC(NCC(=O)O)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
FFAR3 O14843 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CTH P32929 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
SCHEMBL31668815 0.80 LMNA (0.31) LMNATDP1
SCHEMBL7031293 0.78
SCHEMBL2513923 0.74 CYP2D6 (0.34) MMEACECPA1ACE2ALDH1A1
SCHEMBL5284933 0.73 MMP1 (0.43) ACELMNAMAPTCA1CA2
SCHEMBL3376532 0.73
SCHEMBL25281411 0.72 CYP2D6 (0.33) CA9
SCHEMBL31388249 0.72 LMNA (0.33) LMNATDP1
SCHEMBL11422053 0.72
SCHEMBL21623892 0.71 CA2 (0.41) ALDH1A1LMNATDP1TSHRCA1
SCHEMBL25295212 0.71 LMNA (0.31) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102964277-A Preparation method of N,N-dimethyl-N-fatty alcohol polyethenoxy ether-base sulfopropyl lycine UNIV JIANGNAN 2013-03-13 CN disclosed
CN-102964277-A Preparation method of N,N-dimethyl-N-fatty alcohol polyethenoxy ether-base sulfopropyl lycine UNIV JIANGNAN 2013-03-13 CN disclosed