SCHEMBL9102681

SCHEMBL9102681

CCCCc1cccc2c1Oc1cccc(CCCC)c1N2OS(=O)(=O)CCC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
PPARA Q07869 1/20 0.30
CYP1A1 P04798 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL9102956 0.93
SCHEMBL9105178 0.92 NR1H2 (0.33) MTNR1ANR1H2NR1H3ALOX5PTGS2
SCHEMBL9104503 0.91 P2RX4 (0.35) NR1H2NR1H3ALOX5PTGS2PPARA
SCHEMBL9103495 0.89
SCHEMBL9107701 0.89
SCHEMBL9105233 0.88 MAOA (0.30)
SCHEMBL9102597 0.85 HTR1A (0.31)
SCHEMBL9101955 0.85 KDM4E (0.33)
SCHEMBL9104833 0.84 CA2 (0.30)
SCHEMBL9102996 0.83 P2RX4 (0.36)

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