SCHEMBL7204111

SCHEMBL7204111

NC(C(CP(=O)(O)O)P(=O)(O)O)C(CP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
ANPEP P15144 5/20 0.42
ERAP2 Q6P179 1/20 0.42
LAP3 P28838 4/20 0.40
ALDH1A1 P00352 3/20 0.39
ERAP1 Q9NZ08 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL2787540 0.82 GABBR2 (0.46) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL10940736 0.79 GABBR2 (0.43) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL8330918 0.74 GABBR2 (0.40) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL250731 0.74 GABBR2 (0.40) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL8333716 0.74 GABBR2 (0.40) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL7263539 0.73 GABBR2 (0.50) GABBR2GABBR1ANPEPERAP2LAP3
SCHEMBL5355272 0.73
SCHEMBL8333712 0.72 GABBR2 (0.39) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL10943174 0.72 GABBR2 (0.39) GABBR2GABBR1ANPEPERAP2ALDH1A1
SCHEMBL8332740 0.72 GABBR2 (0.39) GABBR2GABBR1ANPEPERAP2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602350-B2 Concentrates; cleaning compound containing anionic and cationic surfactant ECOLAB INC. 2003-08-05 US disclosed
US-20020173438-A1 Composition and method for road-film removal ECOLAB INC. (US) 2002-11-21 US disclosed
US-6350725-B1 AQUEOUS SOLUTION INCLUDES POLY(OXYALKYLENE) AMMONIUM CATIONIC SURFACTANT AND ANIONIC SURFACTANT; CLEANING COMPOUNDS ECOLAB, INC. 2002-02-26 US disclosed