SCHEMBL9101691

SCHEMBL9101691

CCCCc1ccc2c(c1)Sc1ccc(CCCC)cc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
KAT8 Q9H7Z6 2/20 0.32
TRIM24 O15164 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 1/20 0.30
SKP2 Q13309 1/20 0.30
COMT P21964 1/20 0.30
BCHE P06276 2/20 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
SCHEMBL9100349 0.93 METAP2 (0.31) METAP2CA2
SCHEMBL9102726 0.92 BCHE (0.39) METAP2GAAHTR2ABCHE
SCHEMBL9105723 0.92 BCHE (0.39) METAP2HTR2ABCHE
SCHEMBL9102684 0.88 CYP2D6 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL9103659 0.86 METAP2 (0.31) METAP2DRD2HTR2AHTR2CDRD3
SCHEMBL9100567 0.85 BCHE (0.38) METAP2GAABCHE
SCHEMBL9104535 0.85 BCHE (0.38) METAP2GAABCHE
SCHEMBL9103899 0.83 S1PR2 (0.33) METAP2S1PR2S1PR1S1PR3BCHE
SCHEMBL9107712 0.83 METAP2 (0.32) METAP2S1PR2S1PR1S1PR3
SCHEMBL9100134 0.80 CYP2D6 (0.46) SMN1; SMN2GAAALDH1A1HTR2CHTR6

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