SCHEMBL6937530

SCHEMBL6937530

CCCCCCCCCCCCCCCC(=O)n1cnc(CC(NC(=O)CCN)C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CPB1 P15086 2/20 0.40
GRIA1 P42261 1/20 0.37
DNM1 Q05193 1/20 0.37
PTPN1 P18031 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ACE P12821 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
FAAH O00519 2/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL8625496 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL408085 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL8621283 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL5964511 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL21372487 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL8989234 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL8624147 0.92 CPB2 (0.52) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL5964669 0.90 CPB2 (0.53) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL5964745 0.87 CPB2 (0.51) CPB2ITGB3ITGA2BCPB1NOD1
SCHEMBL8625507 0.86 SLC6A5 (0.53) CPB2ITGB3ITGA2BCPB1SLC6A5

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-1297830-A1 Use of alpha- or beta-amino acids, of the corresponding esters or of dipeptides of these amino acids with histidine derivatives in the prevention or treatment of tissue damage caused by a atmospheric ozone Flamma Fabbrica Lombarda Ammino Acidi S.p.a. (IT) 2003-04-02 EP claimed
EP-1297830-A1 Use of alpha- or beta-amino acids, of the corresponding esters or of dipeptides of these amino acids with histidine derivatives in the prevention or treatment of tissue damage caused by a atmospheric ozone Flamma Fabbrica Lombarda Ammino Acidi S.p.a. (IT) 2003-04-02 EP disclosed