SCHEMBL9103899

SCHEMBL9103899

CCCCc1ccc2c(c1)N(C(CC)S(=O)(=O)O)c1c(CCCC)cccc1S2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
METAP2 P50579 1/20 0.32
BCHE P06276 4/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL9103772 0.92 CYP2D6 (0.31) METAP2BCHEMAPTPOLBATM
SCHEMBL9103659 0.89 METAP2 (0.31) METAP2
SCHEMBL9105866 0.89 BCHE (0.39) BCHEMAPTPOLBATMCYP2D6
SCHEMBL9100161 0.87 S1PR2 (0.30) S1PR2S1PR1S1PR3
SCHEMBL9105723 0.86 BCHE (0.39) METAP2BCHEMAPTPOLBATM
SCHEMBL9102580 0.86 CYP2D6 (0.39) BCHEMAPTCYP2D6
SCHEMBL9102133 0.83 BCHE (0.31) BCHE
SCHEMBL9101691 0.83 METAP2 (0.33) S1PR2S1PR1S1PR3METAP2BCHE
SCHEMBL9106570 0.83 BCHE (0.36) BCHEMAPTPOLBATMCYP2D6
SCHEMBL9105202 0.82 BCHE (0.38) BCHETP53MAPTPOLBATM

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