SCHEMBL9104503

SCHEMBL9104503

CCCCc1cccc2c1N(OS(=O)(=O)CCC)c1ccccc1O2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 7/20 0.35
P2RX1 P51575 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
PPARA Q07869 1/20 0.30
MAOA P21397 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
SCHEMBL9102996 0.93 P2RX4 (0.36) P2RX4P2RX1KDM4EPOLBMAOA
SCHEMBL9102681 0.91 MTNR1A (0.32) NR1H2NR1H3THRATHRBALOX5
SCHEMBL9101934 0.90 P2RX4 (0.36) P2RX4P2RX1KDM4EPOLBMAOA
SCHEMBL9105178 0.90 NR1H2 (0.33) P2RX4P2RX1NR1H2NR1H3KDM4E
SCHEMBL9104833 0.88 CA2 (0.30) P2RX4
SCHEMBL9103919 0.88 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9101867 0.85 NR1H2 (0.32) NR1H2NR1H3
SCHEMBL9107701 0.84
SCHEMBL9102956 0.83
SCHEMBL9104365 0.83 P2RX4 (0.38) P2RX4P2RX1

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