SCHEMBL9105135

SCHEMBL9105135

CCCc1cc(CCC)c2c(c1)N(C(CC)S(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.32
P2RX1 P51575 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL9105608 0.92 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9106487 0.89 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9102372 0.88
SCHEMBL9101943 0.88 P2RX4 (0.36) P2RX4P2RX1GPR84HDAC3HDAC6
SCHEMBL9102598 0.86 P2RX4 (0.34) P2RX4P2RX1HDAC3HDAC6
SCHEMBL9107621 0.85 P2RX4 (0.36) P2RX4P2RX1HDAC3HDAC6
SCHEMBL9103974 0.83 P2RX4 (0.36) P2RX4P2RX1HDAC3HDAC6
SCHEMBL9104054 0.83 METAP2 (0.30)
SCHEMBL9106519 0.82
SCHEMBL9103583 0.82 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 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