SCHEMBL6934205

SCHEMBL6934205

CCCCCCCCNC(=O)[C@H](C)NCc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.56
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
TLR2 O60603 1/20 0.46
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 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
SCHEMBL6241805 1.00 NAAA (0.56) NAAACA12CA2CA9TLR2
SCHEMBL6239340 1.00 NAAA (0.56) NAAACA12CA2CA9TLR2
SCHEMBL6930474 1.00 NAAA (0.56) NAAACA12CA2CA9TLR2
SCHEMBL6241121 0.85 TLR2 (0.51) NAAACA12CA2CA9TLR2
SCHEMBL506861 0.85 TLR2 (0.53) NAAACA12CA2CA9TLR2
SCHEMBL506862 0.85 TLR2 (0.53) NAAACA12CA2CA9TLR2
SCHEMBL6239432 0.84 POLB (0.49) CA12CA2CA9POLBMAPK1
SCHEMBL15232424 0.83 POLB (0.47) NAAACA12CA2CA9TLR2
SCHEMBL16506631 0.83 POLB (0.47) NAAACA12CA2CA9TLR2
SCHEMBL6936553 0.82 TLR2 (0.58) NAAATLR2ALDH1A1POLBMAPK1

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-0869115-B1 Amino acid derivatives and compositions containing the same for inhibiting active-oxygen AJINOMOTO KK (JP) 2003-12-17 EP disclosed
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 US disclosed
US-5985922-A Amino acid derivatives and active oxygen-resisting agent AJINOMOTO CO., INC. (JP) 1999-11-16 US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 EP disclosed
EP-0869115-A2 Amino acid derivatives and compositions containing the same for inhibiting active-oxygen Ajinomoto Co., Inc. (JP) 1998-10-07 EP disclosed