SCHEMBL3102709

SCHEMBL3102709

NCCCC[C@@H](C(N)=O)N(O)CP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GSR P00390 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
CPB2 Q96IY4 3/20 0.32
FDPS P14324 2/20 0.31
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
SCHEMBL3102683 1.00 LMNA (0.35) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3094189 0.95 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3094211 0.95 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2993454 0.87 GSR (0.43) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2993448 0.87 GSR (0.43) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3097856 0.85 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3097884 0.85 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2991842 0.81 CPB2 (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2991853 0.81 CPB2 (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3087403 0.80 OTC (0.40)

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