SCHEMBL1827043

SCHEMBL1827043

CC(CS(=O)(=O)O)N1CCN(CCO)CC1.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
OPRD1 P41143 1/20 0.31
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
MAPK1 P28482 1/20 0.30
RORC P51449 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
SCHEMBL4606042 0.94 CHRM2 (0.45) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL1803635 0.84 CHRM2 (0.43) CHRM2CHRM1ALDH1A1POLBKDM4E
Isopropyl Alcohol SCHEMBL7567318 0.84 KMT2A (0.41) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL348916 0.83 CHRM2 (0.42) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL28508078 0.82 CHRM2 (0.41) CHRM2CHRM1ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL310122 0.82 CHRM2 (0.41) CHRM2CHRM1ALDH1A1POLBKDM4E
SCHEMBL2028838 0.82 CHRM2 (0.36) CHRM2CHRM1ALDH1A1KDM4EHTT
SCHEMBL2417 0.82 ALDH1A1 (0.45) CHRM2CHRM1ALDH1A1KDM4EHTT
SCHEMBL9790 0.82 ALDH1A1 (0.45) CHRM2CHRM1ALDH1A1KDM4EHTT
SCHEMBL2229127 0.82 ALDH1A1 (0.45) CHRM2CHRM1ALDH1A1KDM4EHTT

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-20110165608-A1 BLOOD COMPONENT MEASUREMENT METHOD UTILIZING HEMOLYZED WHOLE BLOOD, AND KIT FOR THE METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-07 US disclosed
EP-2319937-A1 BLOOD COMPONENT MEASUREMENT METHOD UTILIZING HEMOLYZED WHOLE BLOOD, AND KIT FOR THE METHOD Nippon Kayaku Kabushiki Kaisha (JP) 2011-05-11 EP disclosed
EP-1372758-A1 METHOD FOR ELIMINATING POTENTIALLY TOXIC AND/OR HARMFUL SUBSTANCES WIELAND, Heinrich (DE) 2004-01-02 EP disclosed
WO-2002081006-A1 METHOD FOR ELIMINATING POTENTIALLY TOXIC AND/OR HARMFUL SUBSTANCES WIELAND, HEINRICH (DE) 2002-10-17 WO disclosed