SCHEMBL3082092

SCHEMBL3082092

C=CC(NC(Cc1c[nH]c2ccccc12)C(=O)O)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
ITGB2 P05107 8/20 0.56
ICAM1 P05362 8/20 0.56
ITGAL P20701 8/20 0.56
ACE P12821 4/20 0.54
FPR2 P25090 1/20 0.53
ERAP2 Q6P179 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52

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
SCHEMBL3082097 1.00 ALOX15 (0.57) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL7524470 0.83 ALOX15 (0.61) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL2989565 0.80 ALOX15 (0.60) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL2989562 0.80 ALOX15 (0.60) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL7103470 0.80 ACE (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL7103473 0.80 ACE (0.65) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL15592745 0.78 ACE (0.70) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL1263822 0.78 KDM4E (0.72) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL1263833 0.78 KDM4E (0.72) ALOX15ITGB2ICAM1ITGALACE
SCHEMBL28982976 0.78 ALOX15 (0.64) 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