SCHEMBL9105106

SCHEMBL9105106

CCCS(=O)(=O)ON1c2ccc(C)cc2Oc2c(C)cccc21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.30
F2 P00734 2/20 0.30
MAPT P10636 2/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL9100971 0.88 P2RX4 (0.35) HTT
SCHEMBL9102006 0.86 NR3C1 (0.31) RAPGEF4
SCHEMBL9103621 0.86 P2RX4 (0.43) KDM4EALDH1A1F2MAPTXBP1
SCHEMBL9105403 0.84 TSHR (0.32) KDM4E
SCHEMBL9105807 0.82 P2RX4 (0.33)
SCHEMBL9103595 0.81 P2RX4 (0.35) KDM4EALDH1A1F2MAPTKMT2A
SCHEMBL9106168 0.79 P2RX4 (0.43) KDM4EALDH1A1F2MAPTXBP1
SCHEMBL9103488 0.79 KDM4E (0.30) KDM4EALDH1A1F2MAPT
SCHEMBL9104611 0.78 P2RX4 (0.35) KDM4EALDH1A1F2MAPTXBP1
SCHEMBL9100107 0.78 NR3C1 (0.32) ALDH1A1MAPTHTT

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