SCHEMBL3219920

SCHEMBL3219920

C=CC(N(CCCC(=O)O)C(C=C)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.39
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 3/20 0.35
NFKB1 P19838 2/20 0.35
BLM P54132 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
PMP22 Q01453 1/20 0.32
GGPS1 O95749 1/20 0.31
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3208437 0.89 FOLH1 (0.37) FOLH1ABCC4MAPTTSHRNFKB1
SCHEMBL3093331 0.80 FOLH1 (0.34) FOLH1ABCC4MAPTTSHRNFKB1
SCHEMBL3212636 0.78 MEN1 (0.34) FOLH1TSHRNFKB1BLMMEN1
SCHEMBL3217096 0.78 FOLH1 (0.34) FOLH1TSHRNFKB1BLMMEN1
SCHEMBL3223707 0.76 BHMT (0.42) KMT2ATDP1
SCHEMBL3190733 0.75
SCHEMBL3213895 0.73 FOLH1 (0.30) FOLH1
SCHEMBL3095561 0.72 SLC6A2 (0.36) FOLH1TSHRNFKB1BLMMEN1
SCHEMBL7559988 0.72 TSHR (0.36) FOLH1TSHRNFKB1BLMMEN1
SCHEMBL3199068 0.71

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 9 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 disclosed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US disclosed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 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
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed