SCHEMBL14436129

SCHEMBL14436129

C=CNC(CP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
FOLH1 Q04609 1/20 0.30
LAP3 P28838 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
SCHEMBL4937697 0.77 GABBR2 (0.30) GABBR2GABBR1
SCHEMBL9423355 0.74 GABBR2 (0.31) GABBR2GABBR1
Ammonia Solution, Strong SCHEMBL16937209 0.74 ALDH1A1 (0.41)
SCHEMBL11125993 0.72 GABBR2 (0.40) GABBR2GABBR1FOLH1
SCHEMBL3080927 0.69 ANPEP (0.39) GABBR2GABBR1FOLH1LAP3
SCHEMBL1123703 0.65 FDPS (0.38) GABBR2GABBR1LAP3
SCHEMBL11589484 0.64 GABBR2 (0.33) GABBR2GABBR1LAP3
SCHEMBL1496455 0.64 GABBR2 (0.33) GABBR2GABBR1FOLH1
SCHEMBL11299383 0.64 GABBR2 (0.33) GABBR2GABBR1FOLH1
SCHEMBL3713672 0.62 FOLH1 (0.42) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349772-B2 Method of secondary oil recovery using an aminoalkylene phosphonic acid and an amine neutralizing agent DEQUEST AG (CH) 2013-01-08 US claimed