SCHEMBL2996583

SCHEMBL2996583

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
ITGB2 P05107 3/20 0.49
ICAM1 P05362 3/20 0.49
ITGAL P20701 3/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACE P12821 2/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL3086291 0.89 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9ACDK4
SCHEMBL2989562 0.88 ALOX15 (0.60) KMT2AMEN1ITGB2ICAM1ITGAL
SCHEMBL2989565 0.88 ALOX15 (0.60) KMT2AMEN1ITGB2ICAM1ITGAL
SCHEMBL7312422 0.87 ECE1 (0.56) ACEERAP2
SCHEMBL3098144 0.85 ITGB2 (0.47) KMT2AMEN1NPC1RAB9ACDK4
SCHEMBL5057944 0.81 KMT2A (0.53) KMT2AMEN1NPC1RAB9ACDK4
SCHEMBL3103327 0.80 MC5R (0.55) KMT2AMEN1ITGB2ICAM1ITGAL
SCHEMBL3103334 0.80 MC5R (0.55) KMT2AMEN1ITGB2ICAM1ITGAL
SCHEMBL27818386 0.79 ACE (0.54) KMT2AMEN1NPC1RAB9ACDK4
SCHEMBL468878 0.79 ALOX15 (0.61) KMT2AMEN1ITGB2ICAM1ITGAL

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 17 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-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US claimed
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-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
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