SCHEMBL4647818

SCHEMBL4647818

N=C(N)NCCC[C@H](NC(=O)CI)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.45
GNPAT O15228 1/20 0.42
NOD1 Q9Y239 7/20 0.41
FOLH1 Q04609 3/20 0.38
EPHX2 P34913 1/20 0.38
SHMT1 P34896 1/20 0.38
NPY4R P50391 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY5R Q15761 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL31053432 0.88 C3AR1 (0.43) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL187696 0.88 C3AR1 (0.45) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL29744957 0.88 C3AR1 (0.45) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL2116832 0.88 C3AR1 (0.45) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL29476474 0.88 C3AR1 (0.45) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL24961322 0.88 GNPAT (0.45) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL12971304 0.87 C3AR1 (0.43) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL29005731 0.87 C3AR1 (0.43) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL2815688 0.86 C3AR1 (0.44) C3AR1GNPATNOD1FOLH1EPHX2
SCHEMBL543973 0.86 C3AR1 (0.44) C3AR1GNPATNOD1FOLH1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415161-B1 ISOTOPE-CODED IONIZATION-ENHANCING REAGENTS (ICIER) FOR HIGH-THROUGHPUT PROTEIN IDENTIFICATION AND QUANTIFICATION USING MASS SPECTROMETRY GENETICS INST LLC (US) 2008-08-20 EP disclosed
US-6905879-B2 Isotope-coded ionization-enhancing reagents (ICIER) for high-throughput protein identification and quantitation using matrix-assisted laser desorption ionization mass spectrometry GENETICS INSTITUTE, INC. (US) 2005-06-14 US disclosed
EP-1415161-A2 ISOTOPE-CODED IONIZATION-ENHANCING REAGENTS (ICIER) FOR HIGH-THROUGHPUT PROTEIN IDENTIFICATION AND QUANTIFICATION USING MALDI MASS SPECTROMTRY Genetics Institute, LLC (US) 2004-05-06 EP disclosed
US-20030054570-A1 Isotope-coded ionization-enhancing reagents (ICIER) for high-throughput protein identification and quantitation using matrix-assisted laser desorption ionization mass spectrometry GENETICS INSTITUTE, INC. 2003-03-20 US disclosed
WO-2002046770-A2 ISOTOPE-CODED IONIZATION-ENHANCING REAGENTS (ICIER) FOR HIGH-THROUGHPUT PROTEIN IDENTIFICATION AND QUANTITATION USING MATRIX-ASSISTED LASER DESORPTION IONIZATION MASS SPECTROMETRY GENETICS INSTITUTE, LLC (US) 2002-06-13 WO disclosed