SCHEMBL9105793

SCHEMBL9105793

CCC(N1c2ccc(C)cc2Oc2ccc(C)cc21)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PLK1 P53350 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9103609 0.91 P2RX4 (0.43) P2RX4SMN1; SMN2MAPT
SCHEMBL9106158 0.91 P2RX4 (0.43) P2RX4SMN1; SMN2MAPT
SCHEMBL9103791 0.85 NR3C1 (0.32) P2RX4HTR2AALDH1A1SMN1; SMN2MAPT
SCHEMBL9105096 0.84 P2RX4 (0.32) P2RX4
SCHEMBL9102651 0.84 HTR2A (0.31) HTR2AALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL9104596 0.83 P2RX4 (0.35) P2RX4HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL9101879 0.81 HTR2A (0.31) HTR2A
SCHEMBL9100247 0.80 METAP2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL9106652 0.78 P2RX4 (0.38) P2RX4ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL9101896 0.78 AHR (0.39) P2RX4ALDH1A1SMN1; SMN2MAPT

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