SCHEMBL9104061

SCHEMBL9104061

CCCc1ccc2c(c1)Oc1c(CCC)cccc1N2CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 4/20 0.33
MMP13 P45452 3/20 0.33
SMPD1 P17405 3/20 0.32
TDP1 Q9NUW8 4/20 0.32
ALOX15 P16050 3/20 0.32
MAPK1 P28482 3/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
RAD52 P43351 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HPGD P15428 4/20 0.31
ALDH1A1 P00352 3/20 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
SCHEMBL9102589 0.93 S1PR2 (0.35) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9103483 0.89 MAPT (0.34) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9101949 0.88 SIGMAR1 (0.38) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9106521 0.87 MEN1 (0.34) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9103979 0.86 SMPD1 (0.43) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9102942 0.84 MAPT (0.35) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9105147 0.83 SIGMAR1 (0.38) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9105162 0.83 MEN1 (0.37) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9101887 0.83 PIM1 (0.35) MAPTMEN1KMT2APOLBMMP13
SCHEMBL9102031 0.81 SMPD1 (0.43) MAPTMEN1KMT2APOLBMMP13

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
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed