SCHEMBL9106496

SCHEMBL9106496

CCCS(=O)(=O)ON1c2ccccc2Oc2c(CC)cc(CC)cc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.31
P2RX4 Q99571 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
MAPT P10636 1/20 0.30
VDR P11473 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
SCHEMBL9105150 0.90 P2RX1 (0.30) P2RX1P2RX4
SCHEMBL9105475 0.89
SCHEMBL9105619 0.88 P2RX4 (0.32) P2RX1P2RX4
SCHEMBL9107448 0.86 P2RX4 (0.33) P2RX1P2RX4KDM4EALDH1A1F2
SCHEMBL9103561 0.86 KDM4E (0.34) P2RX1P2RX4KDM4E
SCHEMBL9106662 0.85 P2RX4 (0.35) P2RX1P2RX4KDM4EALDH1A1F2
SCHEMBL9103987 0.82 P2RX4 (0.35) P2RX1P2RX4KDM4EALDH1A1F2
SCHEMBL9101955 0.81 KDM4E (0.33) P2RX1P2RX4KDM4E
SCHEMBL9104487 0.81 P2RX4 (0.41) P2RX1P2RX4KDM4EMAPT
SCHEMBL9104489 0.81 P2RX4 (0.43) P2RX1P2RX4KDM4E

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