SCHEMBL6237911

SCHEMBL6237911

CCNC(=O)[C@H](Cc1ccccc1)NCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
ITGA4 P13612 6/20 0.53
ITGB7 P26010 6/20 0.53
PSMB5 P28074 2/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEP1B Q16820 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PKM P14618 1/20 0.43
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6243112 0.92 POLB (0.48) POLBMAPK1ITGA4ITGB7PSMB5
SCHEMBL6234672 0.86 POLB (0.61) POLBMAPK1ITGA4ITGB7ALDH1A1
SCHEMBL6936553 0.86 TLR2 (0.58) POLBMAPK1ITGA4ITGB7ALDH1A1
SCHEMBL6936560 0.86 TLR2 (0.58) POLBMAPK1ITGA4ITGB7ALDH1A1
SCHEMBL18435163 0.83 CTSS (0.52) POLBCTSSCTSKBCHEL3MBTL1
SCHEMBL6234635 0.83 POLB (0.58) POLBMAPK1ITGA4ITGB7PKM
SCHEMBL28850764 0.81 POLB (0.58) POLBMAPK1ITGA4ITGB7PKM
SCHEMBL6239432 0.79 POLB (0.49) POLBMAPK1PKM
SCHEMBL7224165 0.79 GRIA1 (0.53)
SCHEMBL22317109 0.77 CTSS (0.52) POLBCTSSCTSKL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 EP claimed
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 EP disclosed
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 EP disclosed