SCHEMBL9104823

SCHEMBL9104823

CCCCc1ccc2c(c1)N(CCCS(=O)(=O)O)c1c(CCCC)cccc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
PIM1 P11309 2/20 0.34
SMPD1 P17405 1/20 0.32
P2RX4 Q99571 2/20 0.32
MAPT P10636 3/20 0.31
POLB P06746 3/20 0.31
MMP13 P45452 2/20 0.31
METAP2 P50579 1/20 0.31
HPGD P15428 3/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
CASP1 P29466 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 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
SCHEMBL9104716 0.93 MEN1 (0.35) S1PR2S1PR1S1PR3MEN1KMT2A
SCHEMBL9103635 0.90 S1PR2 (0.33) S1PR2S1PR1S1PR3MEN1KMT2A
SCHEMBL9104498 0.88 SIGMAR1 (0.38) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9107692 0.88 S1PR2 (0.33) S1PR2S1PR1S1PR3MEN1KMT2A
SCHEMBL9104003 0.87 MEN1 (0.43) S1PR2S1PR1S1PR3MEN1KMT2A
SCHEMBL9102536 0.87 MEN1 (0.34) MEN1KMT2ATDP1PIM1MAPT
SCHEMBL9100252 0.84 S1PR2 (0.36) S1PR2S1PR1S1PR3MEN1KMT2A
SCHEMBL9103912 0.84 SIGMAR1 (0.37) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9102674 0.83 MTNR1A (0.35) S1PR2S1PR1S1PR3MEN1KMT2A
SCHEMBL9102985 0.83 SIGMAR1 (0.39) MEN1KMT2ATDP1PIM1SMPD1

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