SCHEMBL9101934

SCHEMBL9101934

CCCS(=O)(=O)ON1c2ccccc2Oc2cccc(CC)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.36
P2RX1 P51575 2/20 0.36
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
P2RX3 P56373 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSB P07858 1/20 0.31
NPEPPS P55786 1/20 0.31

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) P2RX4P2RX1MAOAKDM4EPOLB
SCHEMBL9104503 0.90 P2RX4 (0.35) P2RX4P2RX1MAOAKDM4EPOLB
SCHEMBL9105233 0.90 MAOA (0.30) MAOAKDM4EPOLB
SCHEMBL9103561 0.89 KDM4E (0.34) P2RX4P2RX1MAOAKDM4EPOLB
SCHEMBL9104365 0.87 P2RX4 (0.38) P2RX4P2RX1HTTP2RX3MAPT
SCHEMBL9102548 0.87 MAPT (0.30) KDM4EMAPT
SCHEMBL9107448 0.87 P2RX4 (0.33) P2RX4P2RX1KDM4EP2RX3MAPT
SCHEMBL9104487 0.86 P2RX4 (0.41) P2RX4P2RX1KDM4EPOLBP2RX3
SCHEMBL9104489 0.86 P2RX4 (0.43) P2RX4P2RX1KDM4EPOLBP2RX3
SCHEMBL9106101 0.86 P2RX4 (0.36) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9632034-B2 Fluorogenic and chromogenic substrate LI-COR, INC. (US) 2017-04-25 US disclosed
US-20160266045-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-15 US disclosed
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