SCHEMBL7053820

SCHEMBL7053820

CCc1cc(-c2cc(CC)c(NCCCCS(=O)(=O)O)c(CC)c2)cc(CC)c1NCCCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
APP P05067 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7049433 0.97 EPHX2 (0.32) EPHX2APPMAPTGAAGPR84
SCHEMBL10776945 0.90 POLB (0.35) APP
SCHEMBL574593 0.81 ALDH1A1 (0.33) EPHX2APPMAPTALDH1A1TDP1
SCHEMBL574466 0.78 ALDH1A1 (0.33) APPMAPTALDH1A1TDP1L3MBTL1
SCHEMBL574004 0.75 ALDH1A1 (0.41) APPALDH1A1TDP1
SCHEMBL28268712 0.72 FABP4 (0.34) MAPTALDH1A1TDP1L3MBTL1
SCHEMBL574723 0.72 ALDH1A1 (0.41) APPALDH1A1TDP1
SCHEMBL10888891 0.72 MCHR1 (0.42) MAPTALDH1A1TDP1
SCHEMBL753887 0.71 ALDH1A1 (0.40) APPALDH1A1TDP1
SCHEMBL574724 0.70 CDK1 (0.35) ALDH1A1

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-5972713-A KIT INCLUDING A N-(SULFOALKYL) BENZIDINE INDICATOR OF GIVEN FORMULA WHICH FORMS A DYE BY REACTION WITH CHLORINE, THE HUE OF WHICH CHANGES DEPENDING ON THE MOLE RATIO OF CHLORINE TO THE BENZIDINE, COLOR SCALE FOR COLORIMETRIC ANALYSIS KONICA CORPORATION (JP) 1999-10-26 US claimed
EP-0762120-B1 A method for determining total chlorine amount and a kit using the same BIOTRACE LTD (GB) 2003-05-02 EP disclosed
US-5972713-A KIT INCLUDING A N-(SULFOALKYL) BENZIDINE INDICATOR OF GIVEN FORMULA WHICH FORMS A DYE BY REACTION WITH CHLORINE, THE HUE OF WHICH CHANGES DEPENDING ON THE MOLE RATIO OF CHLORINE TO THE BENZIDINE, COLOR SCALE FOR COLORIMETRIC ANALYSIS KONICA CORPORATION (JP) 1999-10-26 US disclosed
EP-0762120-A1 A method for determining total chlorine amount and a kit using the same KONICA CORPORATION (JP) 1997-03-12 EP disclosed