SCHEMBL9104955

SCHEMBL9104955

CCC(N1c2ccccc2Sc2cc(C)cc(C)c21)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
ACHE P22303 1/20 0.38
NOX1 Q9Y5S8 1/20 0.37
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL9107461 0.88 NR3C1 (0.32)
SCHEMBL9105514 0.87 BCHE (0.41) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9099981 0.86 NR3C1 (0.33)
SCHEMBL9102414 0.84 BCHE (0.41) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9102087 0.84 BCHE (0.36) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL6276192 0.84 BCHE (0.47) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9104147 0.82 BCHE (0.41) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9105616 0.81 BCHE (0.35) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9105532 0.81 BCHE (0.37) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9100797 0.80 BCHE (0.35) BCHECYP2C19CYP2D6TSHRMAPT

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