SCHEMBL9106662

SCHEMBL9106662

CCCS(=O)(=O)ON1c2ccccc2Oc2ccc(CC)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.35
P2RX1 P51575 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
VDR P11473 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX3 P56373 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9103987 0.93 P2RX4 (0.35) P2RX4P2RX1ALDH1A1MAPTKDM4E
SCHEMBL9107635 0.92 P2RX4 (0.34) P2RX4P2RX1HDAC3HDAC6P2RX3
SCHEMBL9102665 0.91 KDM4E (0.31) ALDH1A1MAPTKDM4EF2VDR
SCHEMBL9104010 0.90 P2RX4 (0.36) P2RX4P2RX1SMN1; SMN2
SCHEMBL9102548 0.87 MAPT (0.30) ALDH1A1MAPTKDM4EF2VDR
SCHEMBL9104487 0.87 P2RX4 (0.41) P2RX4P2RX1MAPTKDM4EHDAC3
SCHEMBL9104489 0.87 P2RX4 (0.43) P2RX4P2RX1KDM4EHDAC3HDAC6
SCHEMBL9106168 0.86 P2RX4 (0.43) P2RX4P2RX1ALDH1A1MAPTKDM4E
SCHEMBL9099192 0.85 AHR (0.39) P2RX4P2RX1ALDH1A1MAPTKDM4E
SCHEMBL9102754 0.85 PIM1 (0.44) P2RX4ALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268489-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2018-01-17 EP disclosed
US-9632034-B2 Fluorogenic and chromogenic substrate LI-COR, INC. (US) 2017-04-25 US disclosed
WO-2016149127-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-22 WO 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