SCHEMBL9101998

SCHEMBL9101998

Cc1cc(C)c2c(c1)Oc1c(C)cccc1N2CCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
POLB P06746 5/20 0.35
MMP13 P45452 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 5/20 0.33
TDP1 Q9NUW8 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 3/20 0.33
ALPG P10696 2/20 0.33
ALOX15 P16050 3/20 0.32
ALOX12 P18054 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
CASP7 P55210 1/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9105392 0.90 ALDH1A1 (0.35) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9100103 0.88 ALDH1A1 (0.34) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9105464 0.86 P2RX4 (0.40) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9105101 0.85 POLB (0.35) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9100967 0.82 SIGMAR1 (0.38) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9103799 0.82 POLB (0.42) MAPTPOLBCYP3A4TP53CYP2C9
SCHEMBL9103588 0.80 P2RX4 (0.38) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9104354 0.79 P2RX4 (0.41) MAPTPOLBMMP13MEN1KMT2A
SCHEMBL9104604 0.77 GAA (0.38) MAPTPOLBHPGDALDH1A1MAPK1
SCHEMBL9101991 0.76 NR3C1 (0.33)

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