SCHEMBL2987309

SCHEMBL2987309

O=C(O)[C@H](CCc1c[nH]c2ccccc12)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.49
CCND1 P24385 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL3100866 0.89 ALDH1A1 (0.46) CDK4CCND1KMT2AMEN1NPC1
SCHEMBL2985756 0.88 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1MAPTKDM4E
SCHEMBL2985752 0.88 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1MAPTKDM4E
SCHEMBL3097777 0.80 KDM4E (0.52) SMN1; SMN2KMT2AMEN1MAPTKDM4E
SCHEMBL3097788 0.80 KDM4E (0.52) SMN1; SMN2KMT2AMEN1MAPTKDM4E
SCHEMBL2996583 0.79 KMT2A (0.51) CDK4CCND1SMN1; SMN2KMT2AMEN1
SCHEMBL2987289 0.76 ERAP1 (0.53) SMN1; SMN2KMT2AMEN1
SCHEMBL2987292 0.76 ERAP1 (0.53) SMN1; SMN2KMT2AMEN1
SCHEMBL2987361 0.76 HTR1A (0.62) CDK4CCND1MPOALDH1A1HTR1A
SCHEMBL12222321 0.75 SMN1; SMN2 (0.48) CDK4CCND1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US claimed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US 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-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
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed