SCHEMBL3097378

SCHEMBL3097378

NCCC[C@@](O)(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.44
PDE3A Q14432 2/20 0.44
ODC1 P11926 2/20 0.41
LMNA P02545 3/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB3 P13945 1/20 0.34
PDE4D Q08499 1/20 0.34
ARG1 P05089 1/20 0.31
ARG2 P78540 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

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
SCHEMBL3097358 1.00 FDPS (0.44) FDPSPDE3AODC1LMNABLM
SCHEMBL2995473 0.95 FDPS (0.46) FDPSPDE3AODC1LMNABLM
SCHEMBL2995482 0.95 FDPS (0.46) FDPSPDE3AODC1LMNABLM
SCHEMBL3108202 0.86 FDPS (0.44) FDPSPDE3AODC1LMNABLM
SCHEMBL3108182 0.86 FDPS (0.44) FDPSPDE3AODC1LMNABLM
SCHEMBL3105976 0.81 FDPS (0.46) FDPSPDE3ALMNABLMPMP22
SCHEMBL3105994 0.81 FDPS (0.46) FDPSPDE3ALMNABLMPMP22
SCHEMBL2990993 0.80 OTC (0.31)
SCHEMBL2990997 0.80 OTC (0.31)
SCHEMBL2990340 0.79 FOLH1 (0.33) LMNABLMCYP1A2TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009526755-A 2009-07-23 JP claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed