SCHEMBL3260610

SCHEMBL3260610

C=CC(CN(CC(C=C)P(=O)(O)O)C(CCCN)C(=O)O)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.33
GSR P00390 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
RNPEP Q9H4A4 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
SCHEMBL3200075 0.96 GSR (0.37) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL3209598 0.81 OTC (0.36)
SCHEMBL3201591 0.80 SMPD2 (0.31)
SCHEMBL2981416 0.77 CPB2 (0.39) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL2981409 0.77 CPB2 (0.39) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL2981423 0.77 CPB2 (0.39) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL3222384 0.77 CPB2 (0.34) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL3222351 0.77 CPB2 (0.34) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL3235889 0.75 CPB2 (0.33) CPB2GSRLMNACYP3A4NFKB1
SCHEMBL3235934 0.75 CPB2 (0.33) CPB2GSRLMNACYP3A4NFKB1

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 5 patents. 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 disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed