SCHEMBL3101640

SCHEMBL3101640

NC(=O)C(CO)N(CCP(=O)(O)O)CCP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ANPEP P15144 1/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
TYMS P04818 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ENPEP Q07075 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
SCHEMBL2991059 0.82 FOLH1 (0.36) FDPSTYMS
SCHEMBL3103350 0.80 FDPS (0.31) FDPS
SCHEMBL3103343 0.80 FDPS (0.31) FDPS
SCHEMBL3094184 0.79 LMNA (0.44) ALDH1A1LMNACYP3A4NFKB1BLM
SCHEMBL3098014 0.78 LMNA (0.42) ALDH1A1LMNACYP3A4NFKB1BLM
SCHEMBL3103472 0.72 OTC (0.38)
SCHEMBL1431989 0.69 CA1 (0.35) FDPS
SCHEMBL2988342 0.68 LMNA (0.44) ALDH1A1LMNACYP3A4NFKB1BLM
SCHEMBL12250793 0.68 FDPS (0.62) ALDH1A1ANPEPFDPSLMNACYP3A4
SCHEMBL2985827 0.67 LMNA (0.42) ALDH1A1LMNACYP3A4NFKB1BLM

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