SCHEMBL9104611

SCHEMBL9104611

CCCS(=O)(=O)ON1c2cc(C)ccc2Oc2cccc(C)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.35
ALDH1A1 P00352 7/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 4/20 0.30
KDM4E B2RXH2 2/20 0.30
F2 P00734 2/20 0.30
HTT P42858 2/20 0.30
XBP1 P17861 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL9103810 0.88 CA12 (0.31) P2RX4ALDH1A1MAPTKDM4EF2
SCHEMBL9104365 0.88 P2RX4 (0.38) P2RX4ALDH1A1TSHRNPSR1MAPK1
SCHEMBL9106168 0.87 P2RX4 (0.43) P2RX4ALDH1A1KMT2AMAPTKDM4E
SCHEMBL9100107 0.86 NR3C1 (0.32) ALDH1A1MAPTHTTHSD17B10
SCHEMBL9105807 0.83 P2RX4 (0.33) P2RX4GAA
SCHEMBL9105403 0.83 TSHR (0.32) P2RX4TSHRMAPK1KDM4EHSD17B10
SCHEMBL9105473 0.81 P2RX4 (0.38) P2RX4ALDH1A1NPSR1KMT2AMEN1
SCHEMBL9103621 0.80 P2RX4 (0.43) P2RX4ALDH1A1NPSR1LMNAKMT2A
SCHEMBL9102006 0.78 NR3C1 (0.31)
SCHEMBL9102548 0.78 MAPT (0.30) ALDH1A1KMT2AMEN1MAPTKDM4E

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