SCHEMBL3098014

SCHEMBL3098014

NCCCCC(C(N)=O)N(CCP(=O)(O)O)CCP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 3/20 0.36
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ENPEP Q07075 1/20 0.32

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
SCHEMBL3094184 0.95 LMNA (0.44) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2985827 0.87 LMNA (0.42) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3097884 0.83 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3097856 0.83 LMNA (0.36) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL2988342 0.82 LMNA (0.44) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3090802 0.78 LMNA (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3090812 0.78 LMNA (0.38) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3103472 0.78 OTC (0.38) CYP1A2
SCHEMBL3101640 0.78 ALDH1A1 (0.33) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL3102683 0.75 LMNA (0.35) 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