SCHEMBL9103595

SCHEMBL9103595

CCCS(=O)(=O)ON1c2ccccc2Oc2c(C)cc(C)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.35
P2RX1 P51575 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL9100107 0.88 NR3C1 (0.32) CA12CA2ALDH1A1MAPT
SCHEMBL9100971 0.87 P2RX4 (0.35) P2RX4P2RX1
SCHEMBL9105473 0.86 P2RX4 (0.38) P2RX4P2RX1CA12CA2KDM4E
SCHEMBL9106168 0.84 P2RX4 (0.43) P2RX4P2RX1KDM4EALDH1A1F2
SCHEMBL9104489 0.82 P2RX4 (0.43) P2RX4P2RX1KDM4E
SCHEMBL9104487 0.82 P2RX4 (0.41) P2RX4P2RX1KDM4EMAPTMEN1
SCHEMBL9103621 0.82 P2RX4 (0.43) P2RX4P2RX1KDM4EALDH1A1F2
SCHEMBL9105150 0.82 P2RX1 (0.30) P2RX4P2RX1
SCHEMBL9104365 0.81 P2RX4 (0.38) P2RX4P2RX1ALDH1A1MAPTKMT2A
SCHEMBL9102006 0.81 NR3C1 (0.31) CA12CA2

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