SCHEMBL3090802

SCHEMBL3090802

NCCCC(C(N)=O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
CPB2 Q96IY4 1/20 0.32
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 0.31
ANPEP P15144 1/20 0.31
FDPS P14324 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
SCHEMBL3090812 1.00 LMNA (0.38) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3097884 0.95 LMNA (0.36) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3097856 0.95 LMNA (0.36) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL2981416 0.86 CPB2 (0.39) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL2981423 0.86 CPB2 (0.39) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL2981409 0.86 CPB2 (0.39) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3094211 0.84 LMNA (0.36) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3094189 0.84 LMNA (0.36) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3094184 0.83 LMNA (0.44) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3095753 0.81 ALDH1A1 (0.31) ALDH1A1

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