SCHEMBL9104818

SCHEMBL9104818

CCCCc1ccc2c(c1)N(C(CC)S(=O)(=O)O)c1c(CCCC)cccc1O2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.33
P2RX4 Q99571 2/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
P2RX1 P51575 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
XIAP P98170 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
SCHEMBL9104702 0.92 METAP2 (0.31) METAP2P2RX4
SCHEMBL9547674 0.90 METAP2 (0.31) METAP2
SCHEMBL9104492 0.88 P2RX4 (0.37) P2RX4P2RX1
SCHEMBL9107687 0.88
SCHEMBL9103992 0.87 P2RX4 (0.38) METAP2P2RX4P2RX1
SCHEMBL9102530 0.86 MAPT (0.32) P2RX4
SCHEMBL9102664 0.85 MTNR1A (0.33) P2RX4P2RX1
SCHEMBL9100247 0.84 METAP2 (0.33) METAP2S1PR2S1PR1S1PR3
SCHEMBL9103906 0.84 P2RX4 (0.35) METAP2P2RX4P2RX1
SCHEMBL9103487 0.82

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