SCHEMBL3100443

SCHEMBL3100443

NCCCC(NCCP(=O)(O)O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
ALDH1A1 P00352 3/20 0.38
ANPEP P15144 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33
HPGDS O60760 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
GGT1 P19440 1/20 0.33
ENPEP Q07075 1/20 0.33

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
SCHEMBL3095512 0.95 LMNA (0.42) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL27764518 0.87 GGT1 (0.46) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL2991537 0.87 GGT1 (0.46) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3094812 0.83 LMNA (0.38) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3094807 0.83 LMNA (0.38) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL2985126 0.82 FOLH1 (0.46) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3098116 0.81 OTC (0.36) ALDH1A1TDP1CYP1A2
SCHEMBL3095619 0.79 ANPEP (0.35) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3097939 0.78 HPGDS (0.39) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL2988915 0.78 HPGDS (0.39) LMNABLMCYP3A4NFKB1PMP22

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