SCHEMBL9103583

SCHEMBL9103583

CCC(N1c2ccccc2Oc2c(C)cc(C)cc21)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.36
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
P2RX1 P51575 1/20 0.32
NR3C1 P04150 3/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
PIM1 P11309 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9100957 0.88 P2RX4 (0.39) P2RX4P2RX1PIM1
SCHEMBL9100096 0.87 NR3C1 (0.34) NR3C1PGRNR3C2
SCHEMBL9106158 0.85 P2RX4 (0.43) P2RX4P2RX1PIM1KMT2A
SCHEMBL9105458 0.85 P2RX4 (0.38) P2RX4TP53THRBP2RX1NR3C1
SCHEMBL9103609 0.83 P2RX4 (0.43) P2RX4P2RX1PIM1
SCHEMBL9105135 0.82 P2RX4 (0.32) P2RX4P2RX1
SCHEMBL9105096 0.81 P2RX4 (0.32) P2RX4
SCHEMBL9106487 0.81 P2RX4 (0.33) P2RX4P2RX1PIM1
SCHEMBL9103553 0.81 P2RX4 (0.39) P2RX4THRBP2RX1PIM1
SCHEMBL9101991 0.81 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