SCHEMBL3082103

SCHEMBL3082103

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCC=CP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
ITGB2 P05107 4/20 0.54
ICAM1 P05362 4/20 0.54
ITGAL P20701 4/20 0.54
ACE P12821 3/20 0.54
FPR2 P25090 1/20 0.53
ERAP2 Q6P179 1/20 0.53
P2RY14 Q15391 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51

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
SCHEMBL27847748 0.85 ALOX15 (0.64) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL7524473 0.85 ALOX15 (0.61) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL2989565 0.82 ALOX15 (0.60) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL971816 0.82 ALOX15 (0.63) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL2989562 0.82 ALOX15 (0.60) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL971817 0.82 ALOX15 (0.63) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3451205 0.81 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL3451206 0.81 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL25181018 0.81 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL5370785 0.81 ALOX15 (0.67) ALOX15ITGB2ICAM1ITGALACE

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