SCHEMBL3097939

SCHEMBL3097939

NCCCCC(NCP(=O)(O)O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
FOLH1 Q04609 2/20 0.38
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
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
ANPEP P15144 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SCN9A Q15858 1/20 0.33
MME P08473 2/20 0.33
ECE1 P42892 2/20 0.33
CPB2 Q96IY4 2/20 0.33
CA12 O43570 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
SCHEMBL2988915 1.00 HPGDS (0.39) HPGDSFOLH1LMNACYP3A4NFKB1
SCHEMBL3094807 0.95 LMNA (0.38) HPGDSFOLH1LMNACYP3A4NFKB1
SCHEMBL3094812 0.95 LMNA (0.38) HPGDSFOLH1LMNACYP3A4NFKB1
SCHEMBL2987580 0.86 FOLH1 (0.49) FOLH1LMNACYP3A4NFKB1BLM
SCHEMBL2987576 0.86 FOLH1 (0.49) FOLH1LMNACYP3A4NFKB1BLM
SCHEMBL3095512 0.83 LMNA (0.42) HPGDSFOLH1LMNACYP3A4NFKB1
SCHEMBL3109216 0.83 ANPEP (0.34) ERAP2ANPEP
SCHEMBL3091869 0.82 CA12 (0.35) FOLH1SIRT6SIRT1CA12CA1
SCHEMBL3095525 0.82 FOLH1 (0.39) FOLH1LMNACYP3A4NFKB1BLM
SCHEMBL2979463 0.81 FOLH1 (0.42) FOLH1LMNACYP3A4NFKB1BLM

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 3 patents. 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
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 CN claimed
CN-101395164-A N- (phosphonoalkyl) -amino acids, derivatives and compositions thereof, and methods of use SCOTT EUGENE J VAN YU RUEY J (US) 2009-03-25 CN disclosed