SCHEMBL6818351

SCHEMBL6818351

CCCCCCCCCCCCCC(=O)n1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ASAH1 Q13510 1/20 0.42
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
FAAH O00519 3/20 0.41
MGLL Q99685 3/20 0.41
HCAR3 P49019 1/20 0.40
NSD2 O96028 1/20 0.40
TGM2 P21980 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL6818371 0.82 KCNMA1 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL5790971 0.81 HPGD (0.53) POLBKMT2AASAH1HCAR3
SCHEMBL19911566 0.79 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL534984 0.77 ASAH1 (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL534899 0.77 ASAH1 (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL5793440 0.77 ASAH1 (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL337266 0.77 ASAH1 (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL18206302 0.77 ASAH1 (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL535029 0.77 ASAH1 (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL4957750 0.77 MGAM (0.53) MGAMAMY1AGAASIMGAM2

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-0938502-B1 SELECTIVE ACYLATION METHOD NOVO NORDISK AS (DK) 2004-10-06 EP disclosed
EP-0938502-A1 SELECTIVE ACYLATION METHOD NOVO NORDISK A/S (DK) 1999-09-01 EP disclosed
US-5905140-A ACYLATING INSULIN, INSULIN ANALOGS, AND INSULIN PRECURSORS ON FREE EPSILON-AMINO GROUP OF LYSINE USING ACTIVATED AMIDE WITH ACYL GROUP IN POLAR SOLVENT IN PRESENCE OF BASE NOVO NORDISK A/S, NOVO ALLE (DK) 1999-05-18 US disclosed
WO-1998002460-A1 SELECTIVE ACYLATION METHOD NOVO NORDISK A/S (DK) 1998-01-22 WO disclosed