SCHEMBL9103799

SCHEMBL9103799

Cc1cc(C)c2c(c1)Oc1ccc(C)cc1N2CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
TSHR P16473 3/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.35
PLK1 P53350 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
P2RX4 Q99571 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9104604 0.88 GAA (0.38) POLBTSHRHTTTP53MAPT
SCHEMBL9105464 0.88 P2RX4 (0.40) POLBTP53MAPTNPSR1P2RX4
SCHEMBL9105798 0.85 POLB (0.36) POLBTSHRHTTTP53MAPT
SCHEMBL9106163 0.82 P2RX4 (0.46) POLBTSHRTP53MAPTTHRB
SCHEMBL9101998 0.82 MAPT (0.35) POLBTP53MAPTCYP3A4CYP2C9
SCHEMBL9100103 0.78 ALDH1A1 (0.34) POLBTSHRHTTMAPTGAA
SCHEMBL9103613 0.77 P2RX4 (0.46) POLBTP53MAPTNPSR1P2RX4
SCHEMBL9107467 0.77 MAPT (0.41) POLBTSHRTP53MAPTCYP3A4
SCHEMBL9104354 0.76 P2RX4 (0.41) POLBTSHRMAPTNPSR1P2RX4
SCHEMBL9103588 0.74 P2RX4 (0.38) POLBTP53MAPTP2RX4CYP3A4

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