SCHEMBL3097884

SCHEMBL3097884

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
GSR P00390 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
CPB2 Q96IY4 3/20 0.33
FOLH1 Q04609 1/20 0.32
FDPS P14324 2/20 0.32
LAP3 P28838 1/20 0.31
GABBR2 O75899 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ANPEP P15144 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
SCHEMBL3097856 1.00 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3090802 0.95 LMNA (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3090812 0.95 LMNA (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2989611 0.86 GSR (0.44) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL1950999 0.86 GSR (0.44) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3102683 0.85 LMNA (0.35) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3102709 0.85 LMNA (0.35) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3098014 0.83 LMNA (0.42) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3103112 0.81 OTC (0.37)
SCHEMBL3098040 0.81 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22

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