SCHEMBL9103810

SCHEMBL9103810

CCCS(=O)(=O)ON1c2cc(C)ccc2Oc2cc(C)cc(C)c21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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
P2RX4 Q99571 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
SCHEMBL9104611 0.88 P2RX4 (0.35) KDM4EALDH1A1F2MAPTP2RX4
SCHEMBL9105473 0.88 P2RX4 (0.38) CA12CA2KDM4EALDH1A1F2
SCHEMBL9105807 0.85 P2RX4 (0.33) CA12CA2P2RX4
SCHEMBL9102006 0.83 NR3C1 (0.31) CA12CA2
SCHEMBL9106168 0.82 P2RX4 (0.43) KDM4EALDH1A1F2MAPTP2RX4
SCHEMBL9100107 0.79 NR3C1 (0.32) CA12CA2ALDH1A1MAPT
SCHEMBL9103621 0.77 P2RX4 (0.43) KDM4EALDH1A1F2MAPTP2RX4
SCHEMBL9107471 0.77 KDM4E (0.30) KDM4EALDH1A1F2MAPT
SCHEMBL9103595 0.77 P2RX4 (0.35) CA12CA2KDM4EALDH1A1F2
SCHEMBL9104365 0.76 P2RX4 (0.38) ALDH1A1MAPTP2RX4

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