SCHEMBL9162575

SCHEMBL9162575

CCCCN(CCCS(=O)(=O)O)c1cc(CC)cc(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CNR2 P34972 2/20 0.35
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9446177 0.89 CNR2 (0.35) S1PR2S1PR1S1PR3CNR2KDM4E
SCHEMBL1145069 0.82 GPR84 (0.43) S1PR2S1PR1S1PR3CNR2GPR84
SCHEMBL6302960 0.78 ESR1 (0.48) CNR2ESR1KDM4EPOLBALDH1A1
SCHEMBL6812406 0.76 CYP3A4 (0.44) S1PR2S1PR1S1PR3CNR2KDM4E
SCHEMBL8604033 0.76 FABP4 (0.32) S1PR2S1PR1S1PR3ALDH1A1MEN1
SCHEMBL8606105 0.76 APP (0.33) POLBGAA
SCHEMBL11145734 0.74 APP (0.32) POLBGAA
SCHEMBL4557043 0.74 SERPINE1 (0.31)
SCHEMBL11229661 0.73 S100B (0.51) S1PR2S1PR1S1PR3CNR2ESR1
SCHEMBL9324828 0.73 CNR2 (0.49) CNR2ESR1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553427-B1 Water-soluble methylenebis(dialkylaniline) derivatives and application thereof DOJINDO LAB (JP) 1995-03-22 EP disclosed
US-5264622-A Quantitative determination of peroxides in biological system DOJINDO LABORATORIES (JP) 1993-11-23 US disclosed
EP-0553427-A1 Water-soluble methylenebis(dialkylaniline) derivatives and application thereof DOJINDO LABORATORIES (JP) 1993-08-04 EP disclosed