SCHEMBL9105458

SCHEMBL9105458

CCC(N1c2ccccc2Oc2cc(C)cc(C)c21)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.38
P2RX1 P51575 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIM1 P11309 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
PDE4B Q07343 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9101991 0.89 NR3C1 (0.33) NR3C1PGRNR3C2
SCHEMBL9103791 0.88 NR3C1 (0.32) P2RX4MAPTSMN1; SMN2NR3C1PGR
SCHEMBL9104348 0.88 P2RX4 (0.40) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9103583 0.85 P2RX4 (0.36) P2RX4P2RX1PIM1TP53THRB
SCHEMBL9103609 0.84 P2RX4 (0.43) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9106158 0.82 P2RX4 (0.43) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9104596 0.81 P2RX4 (0.35) P2RX4MAPTSMN1; SMN2NPSR1TP53
SCHEMBL9100096 0.81 NR3C1 (0.34) MAPTNR3C1PGRNR3C2
SCHEMBL9101918 0.81 P2RX4 (0.40) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9107440 0.81 P2RX4 (0.36) P2RX4P2RX1MAPTSMN1; SMN2NPSR1

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