SCHEMBL5790971

SCHEMBL5790971

CCCCCCCCCCCCCC(=O)n1nnc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
KCNMA1 Q12791 1/20 0.49
ASAH1 Q13510 1/20 0.45
HCAR3 P49019 2/20 0.43
OXER1 Q8TDS5 3/20 0.42
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P2RX7 Q99572 1/20 0.41
KMO O15229 1/20 0.40
POLB P06746 1/20 0.40
GSK3B P49841 2/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL6818262 0.90 HPGD (0.53) HPGDKMT2ALMNAASAH1OXER1
SCHEMBL6818371 0.86 KCNMA1 (0.50) HPGDKMT2ALMNAKCNMA1ASAH1
SCHEMBL5793440 0.81 ASAH1 (0.66) HPGDKMT2ALMNAASAH1MAPT
SCHEMBL535094 0.81 ASAH1 (0.66) HPGDKMT2ALMNAASAH1MAPT
SCHEMBL18206302 0.81 ASAH1 (0.66) HPGDKMT2ALMNAASAH1MAPT
SCHEMBL534984 0.81 ASAH1 (0.66) HPGDKMT2ALMNAASAH1MAPT
SCHEMBL535029 0.81 ASAH1 (0.66) HPGDKMT2ALMNAASAH1MAPT
SCHEMBL337266 0.81 ASAH1 (0.66) HPGDKMT2ALMNAASAH1MAPT
SCHEMBL6818351 0.81 MGAM (0.44) KMT2AASAH1HCAR3POLB
SCHEMBL6819471 0.80 MGAM (0.50) HPGDKMT2ALMNAASAH1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006008238-A1 METHOD FOR SELECTIVE ACYLATION NOVO NORDISK A/S (DK) 2006-01-26 WO disclosed
EP-0938502-B1 SELECTIVE ACYLATION METHOD NOVO NORDISK AS (DK) 2004-10-06 EP disclosed
WO-2000006557-A1 NOVEL PROCESS FOR MAKING IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO 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