SCHEMBL3095753

SCHEMBL3095753

NC(=O)C(CCO)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3095758 1.00 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL3103350 0.84 FDPS (0.31)
SCHEMBL3103343 0.84 FDPS (0.31)
SCHEMBL3103365 0.83 ENPEP (0.33)
SCHEMBL3108119 0.83 FDPS (0.42) TDP1
SCHEMBL3108107 0.83 FDPS (0.42) TDP1
SCHEMBL3103358 0.83 ENPEP (0.33)
SCHEMBL3087550 0.83 ALOX15 (0.35)
SCHEMBL3098026 0.83 ALOX15 (0.35)
SCHEMBL2984462 0.82 FOLH1 (0.35) TDP1

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed