SCHEMBL9102623

SCHEMBL9102623

CCCc1cc(CCC)c2c(c1)Oc1ccccc1N2OS(=O)(=O)CCC

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 7/20 0.32
P2RX1 P51575 2/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
P2RX3 P56373 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9103919 0.92 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9100480 0.89 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL9107448 0.89 P2RX4 (0.33) P2RX4P2RX1ALDH1A1P2RX3MAPT
SCHEMBL9106526 0.88 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL9105150 0.88 P2RX1 (0.30) P2RX4P2RX1
SCHEMBL9102996 0.88 P2RX4 (0.36) P2RX4P2RX1HDAC3HDAC6P2RX3
SCHEMBL9103982 0.84 P2RX4 (0.34) P2RX4P2RX1HDAC3HDAC6P2RX3
SCHEMBL9102393 0.83
SCHEMBL9101934 0.83 P2RX4 (0.36) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL9104725 0.83

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