SCHEMBL6818371

SCHEMBL6818371

CCCCCCCCCCCCCC(=O)n1nnc2cc(C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.50
ASAH1 Q13510 1/20 0.46
HCAR3 P49019 3/20 0.44
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR8 Q9NR97 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 3/20 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
SCHEMBL5790971 0.86 HPGD (0.53) KCNMA1ASAH1HCAR3KMT2AHPGD
SCHEMBL6819471 0.84 MGAM (0.50) ASAH1HCAR3KMT2AHPGDMAPT
SCHEMBL534899 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL18206302 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL535029 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL337266 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL534984 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL535094 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL5793440 0.82 ASAH1 (0.66) ASAH1KMT2AHPGDMAPTALOX15
SCHEMBL6818351 0.82 MGAM (0.44) ASAH1HCAR3KMT2AMEN1ALDH1A1

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