SCHEMBL9100096

SCHEMBL9100096

CCC(N1c2cc(C)cc(C)c2Oc2cccc(C)c21)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.34
PGR P06401 3/20 0.32
NR3C2 P08235 3/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9105388 0.89 P2RX4 (0.33)
SCHEMBL9101991 0.89 NR3C1 (0.33) NR3C1PGRNR3C2
SCHEMBL9103583 0.87 P2RX4 (0.36) NR3C1PGRNR3C2
SCHEMBL9104596 0.86 P2RX4 (0.35) ALDH1A1MAPTHTTHSD17B10
SCHEMBL9104348 0.83 P2RX4 (0.40) MAPT
SCHEMBL9105458 0.81 P2RX4 (0.38) NR3C1PGRNR3C2MAPT
SCHEMBL9100957 0.80 P2RX4 (0.39) MAPT
SCHEMBL9103791 0.79 NR3C1 (0.32) NR3C1PGRNR3C2ALDH1A1MAPT
SCHEMBL9105096 0.78 P2RX4 (0.32)
SCHEMBL9100996 0.77 NR3C1 (0.33) NR3C1PGRNR3C2

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