SCHEMBL4392510

SCHEMBL4392510

C=C(O)CN[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.40
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1096294 0.85 ECE1 (0.43) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL8675912 0.83 ECE1 (0.42) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL2514366 0.83 ECE1 (0.42) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL1986931 0.81 ECE1 (0.43) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL1986933 0.81 ECE1 (0.43) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL4397483 0.81 KMT2A (0.44) CA2CA1KMT2ATGFBR1
SCHEMBL9192330 0.78 MEN1 (0.48) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL21964217 0.77 ECE1 (0.41) ECE1ITGB2ICAM1ITGALCA2
Asparagine SCHEMBL8015948 0.77 ALOX15 (0.39) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL88481 0.75 ECE1 (0.46) ECE1ITGB2ICAM1ITGALCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042538-A1 Amphiphilic copolymers and compositions containing such polymers Nirvana's Tree House (NL) 2009-04-01 EP claimed
EP-2042538-A1 Amphiphilic copolymers and compositions containing such polymers Nirvana's Tree House (NL) 2009-04-01 EP disclosed